2-(2-methylpropyl)furan;2-(2-methylpropyl)oxetane;3-(2-methylpropyl)oxetan-2-one;2-(2-methylpropyl)oxolane;bis(2-(2-methylpropyl)pyrazine);3-(2-methylpropyl)pyridazine;4-(2-methylpropyl)pyridazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3,5-triazine;3-(propan-2-ylamino)oxetan-2-one

C118H187N19O7 — CID 159531846

IUPAC2-(2-methylpropyl)furan;2-(2-methylpropyl)oxetane;3-(2-methylpropyl)oxetan-2-one;2-(2-methylpropyl)oxolane;bis(2-(2-methylpropyl)pyrazine);3-(2-methylpropyl)pyridazine;4-(2-methylpropyl)pyridazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3,5-triazine;3-(propan-2-ylamino)oxetan-2-one
SMILESCC(C)CC1CCCO1.CC(C)CC1CCO1.CC(C)CC1COC1=O.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1cccnn1.CC(C)Cc1ccco1.CC(C)Cc1ccncc1.CC(C)Cc1ccncn1.CC(C)Cc1ccnnc1.CC(C)Cc1cnccn1.CC(C)Cc1cnccn1.CC(C)Cc1ncccn1.CC(C)Cc1ncncn1.CC(C)NC1COC1=O
InChIInChI=1S/3C9H13N.6C8H12N2.C8H16O.C8H12O.C7H11N3.C7H12O2.C7H14O.C6H11NO2/c1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;2*1-7(2)5-8-6-9-3-4-10-8;1-7(2)5-8-3-4-9-6-10-8;1-7(2)5-8-3-4-9-10-6-8;1-7(2)6-8-9-4-3-5-10-8;1-7(2)6-8-4-3-5-9-10-8;2*1-7(2)6-8-4-3-5-9-8;1-6(2)3-7-9-4-8-5-10-7;1-5(2)3-6-4-9-7(6)8;1-6(2)5-7-3-4-8-7;1-4(2)7-5-3-9-6(5)8/h3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;4*3-4,6-7H,5H2,1-2H3;2*3-5,7H,6H2,1-2H3;7-8H,3-6H2,1-2H3;3-5,7H,6H2,1-2H3;4-6H,3H2,1-2H3;5-6H,3-4H2,1-2H3;6-7H,3-5H2,1-2H3;4-5,7H,3H2,1-2H3
InChIKeyMDCDJBXXHDOXCO-UHFFFAOYSA-N
MW1983.92 g/mol
LogP25.59
Rot. Bonds30

About 2-(2-methylpropyl)furan;2-(2-methylpropyl)oxetane;3-(2-methylpropyl)oxetan-2-one;2-(2-methylpropyl)oxolane;bis(2-(2-methylpropyl)pyrazine);3-(2-methylpropyl)pyridazine;4-(2-methylpropyl)pyridazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3,5-triazine;3-(propan-2-ylamino)oxetan-2-one

2-(2-methylpropyl)furan;2-(2-methylpropyl)oxetane;3-(2-methylpropyl)oxetan-2-one;2-(2-methylpropyl)oxolane;bis(2-(2-methylpropyl)pyrazine);3-(2-methylpropyl)pyridazine;4-(2-methylpropyl)pyridazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3,5-triazine;3-(propan-2-ylamino)oxetan-2-one (PubChem CID 159531846) has the molecular formula C118H187N19O7 and a molecular weight of 1983.92 g/mol. Its IUPAC name is 2-(2-methylpropyl)furan;2-(2-methylpropyl)oxetane;3-(2-methylpropyl)oxetan-2-one;2-(2-methylpropyl)oxolane;bis(2-(2-methylpropyl)pyrazine);3-(2-methylpropyl)pyridazine;4-(2-methylpropyl)pyridazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3,5-triazine;3-(propan-2-ylamino)oxetan-2-one.

Molecular Properties

Compound Name2-(2-methylpropyl)furan;2-(2-methylpropyl)oxetane;3-(2-methylpropyl)oxetan-2-one;2-(2-methylpropyl)oxolane;bis(2-(2-methylpropyl)pyrazine);3-(2-methylpropyl)pyridazine;4-(2-methylpropyl)pyridazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3,5-triazine;3-(propan-2-ylamino)oxetan-2-one
PubChem CID159531846
Molecular FormulaC118H187N19O7
Molecular Weight1983.92 g/mol
Exact Mass1982.49
IUPAC Name2-(2-methylpropyl)furan;2-(2-methylpropyl)oxetane;3-(2-methylpropyl)oxetan-2-one;2-(2-methylpropyl)oxolane;bis(2-(2-methylpropyl)pyrazine);3-(2-methylpropyl)pyridazine;4-(2-methylpropyl)pyridazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3,5-triazine;3-(propan-2-ylamino)oxetan-2-one
SMILESCC(C)CC1CCCO1.CC(C)CC1CCO1.CC(C)CC1COC1=O.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1cccnn1.CC(C)Cc1ccco1.CC(C)Cc1ccncc1.CC(C)Cc1ccncn1.CC(C)Cc1ccnnc1.CC(C)Cc1cnccn1.CC(C)Cc1cnccn1.CC(C)Cc1ncccn1.CC(C)Cc1ncncn1.CC(C)NC1COC1=O
InChIInChI=1S/3C9H13N.6C8H12N2.C8H16O.C8H12O.C7H11N3.C7H12O2.C7H14O.C6H11NO2/c1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;2*1-7(2)5-8-6-9-3-4-10-8;1-7(2)5-8-3-4-9-6-10-8;1-7(2)5-8-3-4-9-10-6-8;1-7(2)6-8-9-4-3-5-10-8;1-7(2)6-8-4-3-5-9-10-8;2*1-7(2)6-8-4-3-5-9-8;1-6(2)3-7-9-4-8-5-10-7;1-5(2)3-6-4-9-7(6)8;1-6(2)5-7-3-4-8-7;1-4(2)7-5-3-9-6(5)8/h3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;4*3-4,6-7H,5H2,1-2H3;2*3-5,7H,6H2,1-2H3;7-8H,3-6H2,1-2H3;3-5,7H,6H2,1-2H3;4-6H,3H2,1-2H3;5-6H,3-4H2,1-2H3;6-7H,3-5H2,1-2H3;4-5,7H,3H2,1-2H3
InChIKeyMDCDJBXXHDOXCO-UHFFFAOYSA-N
XLogP25.59
TPSA328.25 Ų
H-Bond Donors1
H-Bond Acceptors26
Rotatable Bonds30
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001983.92
LogP ≤ 525.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'four_member_lactones', 'substructure': 'N/A'}

Analyze 2-(2-methylpropyl)furan;2-(2-methylpropyl)oxetane;3-(2-methylpropyl)oxetan-2-one;2-(2-methylpropyl)oxolane;bis(2-(2-methylpropyl)pyrazine);3-(2-methylpropyl)pyridazine;4-(2-methylpropyl)pyridazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3,5-triazine;3-(propan-2-ylamino)oxetan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)furan;2-(2-methylpropyl)oxetane;3-(2-methylpropyl)oxetan-2-one;2-(2-methylpropyl)oxolane;bis(2-(2-methylpropyl)pyrazine);3-(2-methylpropyl)pyridazine;4-(2-methylpropyl)pyridazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3,5-triazine;3-(propan-2-ylamino)oxetan-2-one?
The IUPAC name of 2-(2-methylpropyl)furan;2-(2-methylpropyl)oxetane;3-(2-methylpropyl)oxetan-2-one;2-(2-methylpropyl)oxolane;bis(2-(2-methylpropyl)pyrazine);3-(2-methylpropyl)pyridazine;4-(2-methylpropyl)pyridazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3,5-triazine;3-(propan-2-ylamino)oxetan-2-one (CID 159531846) is 2-(2-methylpropyl)furan;2-(2-methylpropyl)oxetane;3-(2-methylpropyl)oxetan-2-one;2-(2-methylpropyl)oxolane;bis(2-(2-methylpropyl)pyrazine);3-(2-methylpropyl)pyridazine;4-(2-methylpropyl)pyridazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3,5-triazine;3-(propan-2-ylamino)oxetan-2-one.
What is the SMILES notation for 2-(2-methylpropyl)furan;2-(2-methylpropyl)oxetane;3-(2-methylpropyl)oxetan-2-one;2-(2-methylpropyl)oxolane;bis(2-(2-methylpropyl)pyrazine);3-(2-methylpropyl)pyridazine;4-(2-methylpropyl)pyridazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3,5-triazine;3-(propan-2-ylamino)oxetan-2-one?
The canonical SMILES for 2-(2-methylpropyl)furan;2-(2-methylpropyl)oxetane;3-(2-methylpropyl)oxetan-2-one;2-(2-methylpropyl)oxolane;bis(2-(2-methylpropyl)pyrazine);3-(2-methylpropyl)pyridazine;4-(2-methylpropyl)pyridazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3,5-triazine;3-(propan-2-ylamino)oxetan-2-one is CC(C)CC1CCCO1.CC(C)CC1CCO1.CC(C)CC1COC1=O.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1cccnn1.CC(C)Cc1ccco1.CC(C)Cc1ccncc1.CC(C)Cc1ccncn1.CC(C)Cc1ccnnc1.CC(C)Cc1cnccn1.CC(C)Cc1cnccn1.CC(C)Cc1ncccn1.CC(C)Cc1ncncn1.CC(C)NC1COC1=O.
What is the InChIKey of 2-(2-methylpropyl)furan;2-(2-methylpropyl)oxetane;3-(2-methylpropyl)oxetan-2-one;2-(2-methylpropyl)oxolane;bis(2-(2-methylpropyl)pyrazine);3-(2-methylpropyl)pyridazine;4-(2-methylpropyl)pyridazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3,5-triazine;3-(propan-2-ylamino)oxetan-2-one?
The InChIKey is MDCDJBXXHDOXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H13N.6C8H12N2.C8H16O.C8H12O.C7H11N3.C7H12O2.C7H14O.C6H11NO2/c1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;2*1-7(2)5-8-6-9-3-4-10-8;1-7(2)5-8-3-4-9-6-10-8;1-7(2)5-8-3-4-9-10-6-8;1-7(2)6-8-9-4-3-5-10-8;1-7(2)6-8-4-3-5-9-10-8;2*1-7(2)6-8-4-3-5-9-8;1-6(2)3-7-9-4-8-5-10-7;1-5(2)3-6-4-9-7(6)8;1-6(2)5-7-3-4-8-7;1-4(2)7-5-3-9-6(5)8/h3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;4*3-4,6-7H,5H2,1-2H3;2*3-5,7H,6H2,1-2H3;7-8H,3-6H2,1-2H3;3-5,7H,6H2,1-2H3;4-6H,3H2,1-2H3;5-6H,3-4H2,1-2H3;6-7H,3-5H2,1-2H3;4-5,7H,3H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)furan;2-(2-methylpropyl)oxetane;3-(2-methylpropyl)oxetan-2-one;2-(2-methylpropyl)oxolane;bis(2-(2-methylpropyl)pyrazine);3-(2-methylpropyl)pyridazine;4-(2-methylpropyl)pyridazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3,5-triazine;3-(propan-2-ylamino)oxetan-2-one?
2-(2-methylpropyl)furan;2-(2-methylpropyl)oxetane;3-(2-methylpropyl)oxetan-2-one;2-(2-methylpropyl)oxolane;bis(2-(2-methylpropyl)pyrazine);3-(2-methylpropyl)pyridazine;4-(2-methylpropyl)pyridazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3,5-triazine;3-(propan-2-ylamino)oxetan-2-one has a molecular weight of 1983.92 g/mol, XLogP of 25.59, 30 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)furan;2-(2-methylpropyl)oxetane;3-(2-methylpropyl)oxetan-2-one;2-(2-methylpropyl)oxolane;bis(2-(2-methylpropyl)pyrazine);3-(2-methylpropyl)pyridazine;4-(2-methylpropyl)pyridazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3,5-triazine;3-(propan-2-ylamino)oxetan-2-one is sourced from PubChem (CID 159531846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).