2-amino-3,3-dimethylbutanal;ethane;formamide;1-methyl-N-oct-7-en-4-ylpyrrolidine-2-carboxamide;propane

C26H56N4O3 — CID 143350693

IUPAC2-amino-3,3-dimethylbutanal;ethane;formamide;1-methyl-N-oct-7-en-4-ylpyrrolidine-2-carboxamide;propane
SMILESC=CCCC(CCC)NC(=O)C1CCCN1C.CC.CC(C)(C)C(N)C=O.CCC.NC=O
InChIInChI=1S/C14H26N2O.C6H13NO.C3H8.C2H6.CH3NO/c1-4-6-9-12(8-5-2)15-14(17)13-10-7-11-16(13)3;1-6(2,3)5(7)4-8;1-3-2;1-2;2-1-3/h4,12-13H,1,5-11H2,2-3H3,(H,15,17);4-5H,7H2,1-3H3;3H2,1-2H3;1-2H3;1H,(H2,2,3)
InChIKeyWQWZENGFZBTMBW-UHFFFAOYSA-N
MW472.76 g/mol
LogP4.43
Rot. Bonds8

About 2-amino-3,3-dimethylbutanal;ethane;formamide;1-methyl-N-oct-7-en-4-ylpyrrolidine-2-carboxamide;propane

2-amino-3,3-dimethylbutanal;ethane;formamide;1-methyl-N-oct-7-en-4-ylpyrrolidine-2-carboxamide;propane (PubChem CID 143350693) has the molecular formula C26H56N4O3 and a molecular weight of 472.76 g/mol. Its IUPAC name is 2-amino-3,3-dimethylbutanal;ethane;formamide;1-methyl-N-oct-7-en-4-ylpyrrolidine-2-carboxamide;propane.

Molecular Properties

Compound Name2-amino-3,3-dimethylbutanal;ethane;formamide;1-methyl-N-oct-7-en-4-ylpyrrolidine-2-carboxamide;propane
PubChem CID143350693
Molecular FormulaC26H56N4O3
Molecular Weight472.76 g/mol
Exact Mass472.44
IUPAC Name2-amino-3,3-dimethylbutanal;ethane;formamide;1-methyl-N-oct-7-en-4-ylpyrrolidine-2-carboxamide;propane
SMILESC=CCCC(CCC)NC(=O)C1CCCN1C.CC.CC(C)(C)C(N)C=O.CCC.NC=O
InChIInChI=1S/C14H26N2O.C6H13NO.C3H8.C2H6.CH3NO/c1-4-6-9-12(8-5-2)15-14(17)13-10-7-11-16(13)3;1-6(2,3)5(7)4-8;1-3-2;1-2;2-1-3/h4,12-13H,1,5-11H2,2-3H3,(H,15,17);4-5H,7H2,1-3H3;3H2,1-2H3;1-2H3;1H,(H2,2,3)
InChIKeyWQWZENGFZBTMBW-UHFFFAOYSA-N
XLogP4.43
TPSA118.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.76
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3-dimethylbutanal;ethane;formamide;1-methyl-N-oct-7-en-4-ylpyrrolidine-2-carboxamide;propane?
The IUPAC name of 2-amino-3,3-dimethylbutanal;ethane;formamide;1-methyl-N-oct-7-en-4-ylpyrrolidine-2-carboxamide;propane (CID 143350693) is 2-amino-3,3-dimethylbutanal;ethane;formamide;1-methyl-N-oct-7-en-4-ylpyrrolidine-2-carboxamide;propane.
What is the SMILES notation for 2-amino-3,3-dimethylbutanal;ethane;formamide;1-methyl-N-oct-7-en-4-ylpyrrolidine-2-carboxamide;propane?
The canonical SMILES for 2-amino-3,3-dimethylbutanal;ethane;formamide;1-methyl-N-oct-7-en-4-ylpyrrolidine-2-carboxamide;propane is C=CCCC(CCC)NC(=O)C1CCCN1C.CC.CC(C)(C)C(N)C=O.CCC.NC=O.
What is the InChIKey of 2-amino-3,3-dimethylbutanal;ethane;formamide;1-methyl-N-oct-7-en-4-ylpyrrolidine-2-carboxamide;propane?
The InChIKey is WQWZENGFZBTMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O.C6H13NO.C3H8.C2H6.CH3NO/c1-4-6-9-12(8-5-2)15-14(17)13-10-7-11-16(13)3;1-6(2,3)5(7)4-8;1-3-2;1-2;2-1-3/h4,12-13H,1,5-11H2,2-3H3,(H,15,17);4-5H,7H2,1-3H3;3H2,1-2H3;1-2H3;1H,(H2,2,3).
What are the key properties of 2-amino-3,3-dimethylbutanal;ethane;formamide;1-methyl-N-oct-7-en-4-ylpyrrolidine-2-carboxamide;propane?
2-amino-3,3-dimethylbutanal;ethane;formamide;1-methyl-N-oct-7-en-4-ylpyrrolidine-2-carboxamide;propane has a molecular weight of 472.76 g/mol, XLogP of 4.43, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3-dimethylbutanal;ethane;formamide;1-methyl-N-oct-7-en-4-ylpyrrolidine-2-carboxamide;propane is sourced from PubChem (CID 143350693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).