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1-methyl-3-propan-2-ylazetidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine

C42H89N5 — CID 158423462

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-methyl-3-propan-2-ylazetidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine
SMILESCC(C)C1CCCCN1C.CC(C)C1CCCN(C)C1.CC(C)C1CCN(C)C1.CC(C)C1CCN(C)CC1.CC(C)C1CN(C)C1
InChIInChI=1S/3C9H19N.C8H17N.C7H15N/c1-8(2)9-4-6-10(3)7-5-9;1-8(2)9-5-4-6-10(3)7-9;1-8(2)9-6-4-5-7-10(9)3;1-7(2)8-4-5-9(3)6-8;1-6(2)7-4-8(3)5-7/h3*8-9H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3;6-7H,4-5H2,1-3H3
InChIKeyHATNIHWMHNSGAY-UHFFFAOYSA-N
MW664.21 g/mol
LogP8.89
Rot. Bonds5

About 1-methyl-3-propan-2-ylazetidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine

1-methyl-3-propan-2-ylazetidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine (PubChem CID 158423462) has the molecular formula C42H89N5 and a molecular weight of 664.21 g/mol. Its IUPAC name is 1-methyl-3-propan-2-ylazetidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name1-methyl-3-propan-2-ylazetidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine
PubChem CID158423462
Molecular FormulaC42H89N5
Molecular Weight664.21 g/mol
Exact Mass663.71
IUPAC Name1-methyl-3-propan-2-ylazetidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine
SMILESCC(C)C1CCCCN1C.CC(C)C1CCCN(C)C1.CC(C)C1CCN(C)C1.CC(C)C1CCN(C)CC1.CC(C)C1CN(C)C1
InChIInChI=1S/3C9H19N.C8H17N.C7H15N/c1-8(2)9-4-6-10(3)7-5-9;1-8(2)9-5-4-6-10(3)7-9;1-8(2)9-6-4-5-7-10(9)3;1-7(2)8-4-5-9(3)6-8;1-6(2)7-4-8(3)5-7/h3*8-9H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3;6-7H,4-5H2,1-3H3
InChIKeyHATNIHWMHNSGAY-UHFFFAOYSA-N
XLogP8.89
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.21
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-methyl-3-propan-2-ylazetidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-ylazetidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine?
The IUPAC name of 1-methyl-3-propan-2-ylazetidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine (CID 158423462) is 1-methyl-3-propan-2-ylazetidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine.
What is the SMILES notation for 1-methyl-3-propan-2-ylazetidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine?
The canonical SMILES for 1-methyl-3-propan-2-ylazetidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine is CC(C)C1CCCCN1C.CC(C)C1CCCN(C)C1.CC(C)C1CCN(C)C1.CC(C)C1CCN(C)CC1.CC(C)C1CN(C)C1.
What is the InChIKey of 1-methyl-3-propan-2-ylazetidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine?
The InChIKey is HATNIHWMHNSGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H19N.C8H17N.C7H15N/c1-8(2)9-4-6-10(3)7-5-9;1-8(2)9-5-4-6-10(3)7-9;1-8(2)9-6-4-5-7-10(9)3;1-7(2)8-4-5-9(3)6-8;1-6(2)7-4-8(3)5-7/h3*8-9H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3;6-7H,4-5H2,1-3H3.
What are the key properties of 1-methyl-3-propan-2-ylazetidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine?
1-methyl-3-propan-2-ylazetidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine has a molecular weight of 664.21 g/mol, XLogP of 8.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-ylazetidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine is sourced from PubChem (CID 158423462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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