4-amino-3-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide

C15H29N3O — CID 55139778

IUPAC4-amino-3-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
SMILESCC1CC(C(=O)NCCCN2CCCC2)CCC1N
InChIInChI=1S/C15H29N3O/c1-12-11-13(5-6-14(12)16)15(19)17-7-4-10-18-8-2-3-9-18/h12-14H,2-11,16H2,1H3,(H,17,19)
InChIKeyIBUKCMKSRAZWKG-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.35
Rot. Bonds5

About 4-amino-3-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide

4-amino-3-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide (PubChem CID 55139778) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 4-amino-3-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
PubChem CID55139778
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name4-amino-3-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
SMILESCC1CC(C(=O)NCCCN2CCCC2)CCC1N
InChIInChI=1S/C15H29N3O/c1-12-11-13(5-6-14(12)16)15(19)17-7-4-10-18-8-2-3-9-18/h12-14H,2-11,16H2,1H3,(H,17,19)
InChIKeyIBUKCMKSRAZWKG-UHFFFAOYSA-N
XLogP1.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 62993831
3-(3-piperidin-1-ylpropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549965
4-amino-N-butyl-3-methylcyclohexane-1-carboxamide
CID 62782491
4-amino-3-methyl-N-(4,4,4-trifluorobutyl)cyclohexane-1-carboxamide
CID 115522308
4-amino-3-methyl-N-(5,5,5-trifluoropentyl)cyclohexane-1-carboxamide
CID 115522321
4-amino-3-methyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
CID 63231231
2-[(4-amino-3-methylcyclohexanecarbonyl)amino]ethyl carbamate
CID 83215209
2-amino-N-(3-piperidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 64823304
4-amino-N-(2-cyclopentyloxyethyl)-3-methylcyclohexane-1-carboxamide
CID 63832217
3-amino-N-[2-(azepan-1-yl)ethyl]cyclopentane-1-carboxamide
CID 66008993
4-amino-3-methyl-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide
CID 104766026
(3S)-1-methyl-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 95903528

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-3-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide (CID 55139778) is 4-amino-3-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-3-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-3-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide is CC1CC(C(=O)NCCCN2CCCC2)CCC1N.
What is the InChIKey of 4-amino-3-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide?
The InChIKey is IBUKCMKSRAZWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-12-11-13(5-6-14(12)16)15(19)17-7-4-10-18-8-2-3-9-18/h12-14H,2-11,16H2,1H3,(H,17,19).
What are the key properties of 4-amino-3-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide?
4-amino-3-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide has a molecular weight of 267.42 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 55139778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).