4-(aminomethyl)-N-pyrrol-1-ylcyclohexane-1-carboxamide

C12H19N3O — CID 79526551

IUPAC4-(aminomethyl)-N-pyrrol-1-ylcyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)Nn2cccc2)CC1
InChIInChI=1S/C12H19N3O/c13-9-10-3-5-11(6-4-10)12(16)14-15-7-1-2-8-15/h1-2,7-8,10-11H,3-6,9,13H2,(H,14,16)
InChIKeySPYAQFJKMDOVIP-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.32
Rot. Bonds3

About 4-(aminomethyl)-N-pyrrol-1-ylcyclohexane-1-carboxamide

4-(aminomethyl)-N-pyrrol-1-ylcyclohexane-1-carboxamide (PubChem CID 79526551) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-(aminomethyl)-N-pyrrol-1-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-pyrrol-1-ylcyclohexane-1-carboxamide
PubChem CID79526551
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4-(aminomethyl)-N-pyrrol-1-ylcyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)Nn2cccc2)CC1
InChIInChI=1S/C12H19N3O/c13-9-10-3-5-11(6-4-10)12(16)14-15-7-1-2-8-15/h1-2,7-8,10-11H,3-6,9,13H2,(H,14,16)
InChIKeySPYAQFJKMDOVIP-UHFFFAOYSA-N
XLogP1.32
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(pyrrol-1-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103550896
4-(aminomethyl)-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide
CID 104963779
4-(aminomethyl)-N-(benzenesulfonyl)cyclohexane-1-carboxamide
CID 75277368
4-(aminomethyl)-N-cyclopent-3-en-1-ylcyclohexane-1-carboxamide
CID 104694630
4-(aminomethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide;hydrochloride
CID 165437684
4-(aminomethyl)-N-cyclopentylcyclohexane-1-carboxamide;hydrochloride
CID 165437685
4-(aminomethyl)-N-(3-aminopropyl)cyclohexane-1-carboxamide
CID 79527493
cyclopropanecarboxamide;cyclopropylmethanamine
CID 175374528
4-(aminomethyl)-N-(1-methylcyclopropyl)cyclohexane-1-carboxamide
CID 104963781
4-(aminomethyl)-N-cyclohex-3-en-1-ylcyclohexane-1-carboxamide
CID 79526988
4-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 79527625
4-(aminomethyl)-N-[(1S)-1-(2-bromophenyl)ethyl]cyclohexane-1-carboxamide
CID 81397693

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-pyrrol-1-ylcyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-pyrrol-1-ylcyclohexane-1-carboxamide (CID 79526551) is 4-(aminomethyl)-N-pyrrol-1-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-pyrrol-1-ylcyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-pyrrol-1-ylcyclohexane-1-carboxamide is NCC1CCC(C(=O)Nn2cccc2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-pyrrol-1-ylcyclohexane-1-carboxamide?
The InChIKey is SPYAQFJKMDOVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c13-9-10-3-5-11(6-4-10)12(16)14-15-7-1-2-8-15/h1-2,7-8,10-11H,3-6,9,13H2,(H,14,16).
What are the key properties of 4-(aminomethyl)-N-pyrrol-1-ylcyclohexane-1-carboxamide?
4-(aminomethyl)-N-pyrrol-1-ylcyclohexane-1-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-pyrrol-1-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 79526551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).