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

C15H29N3O — CID 62993831

IUPAC3-amino-4-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NCCCN2CCCC2)CC1N
InChIInChI=1S/C15H29N3O/c1-12-5-6-13(11-14(12)16)15(19)17-7-4-10-18-8-2-3-9-18/h12-14H,2-11,16H2,1H3,(H,17,19)
InChIKeyCKVHTPJVYWNVOT-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.35
Rot. Bonds5

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

3-amino-4-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide (PubChem CID 62993831) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 3-amino-4-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-4-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
PubChem CID62993831
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name3-amino-4-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NCCCN2CCCC2)CC1N
InChIInChI=1S/C15H29N3O/c1-12-5-6-13(11-14(12)16)15(19)17-7-4-10-18-8-2-3-9-18/h12-14H,2-11,16H2,1H3,(H,17,19)
InChIKeyCKVHTPJVYWNVOT-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

4-amino-3-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 55139778
3-(3-piperidin-1-ylpropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549965
3-amino-4-methyl-N-(7-methyloctyl)cyclohexane-1-carboxamide
CID 107818268
3-amino-4-methyl-N-(5,5,5-trifluoropentyl)cyclohexane-1-carboxamide
CID 115522320
3-amino-4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide
CID 62781322
2-amino-N-(3-piperidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 64823304
3-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide
CID 119852751
3-amino-N-[2-(azepan-1-yl)ethyl]cyclopentane-1-carboxamide
CID 66008993
3-amino-N-(2-cyclohexyloxyethyl)-4-methylcyclohexane-1-carboxamide
CID 63833458
3-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119852750
(3S)-1-methyl-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 95903528
3-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]cyclopentane-1-carboxamide
CID 119858858

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-4-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide (CID 62993831) is 3-amino-4-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-4-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-4-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide is CC1CCC(C(=O)NCCCN2CCCC2)CC1N.
What is the InChIKey of 3-amino-4-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide?
The InChIKey is CKVHTPJVYWNVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-12-5-6-13(11-14(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 3-amino-4-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide?
3-amino-4-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 3-amino-4-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 62993831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).