4-(aminomethyl)-N-(1-methylcyclopropyl)cyclohexane-1-carboxamide

C12H22N2O — CID 104963781

IUPAC4-(aminomethyl)-N-(1-methylcyclopropyl)cyclohexane-1-carboxamide
SMILESCC1(NC(=O)C2CCC(CN)CC2)CC1
InChIInChI=1S/C12H22N2O/c1-12(6-7-12)14-11(15)10-4-2-9(8-13)3-5-10/h9-10H,2-8,13H2,1H3,(H,14,15)
InChIKeyNYRBOQDBDSGMLC-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.42
Rot. Bonds3

About 4-(aminomethyl)-N-(1-methylcyclopropyl)cyclohexane-1-carboxamide

4-(aminomethyl)-N-(1-methylcyclopropyl)cyclohexane-1-carboxamide (PubChem CID 104963781) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(1-methylcyclopropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(1-methylcyclopropyl)cyclohexane-1-carboxamide
PubChem CID104963781
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name4-(aminomethyl)-N-(1-methylcyclopropyl)cyclohexane-1-carboxamide
SMILESCC1(NC(=O)C2CCC(CN)CC2)CC1
InChIInChI=1S/C12H22N2O/c1-12(6-7-12)14-11(15)10-4-2-9(8-13)3-5-10/h9-10H,2-8,13H2,1H3,(H,14,15)
InChIKeyNYRBOQDBDSGMLC-UHFFFAOYSA-N
XLogP1.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-methylcyclopropyl)cyclopropanecarboxamide
CID 115634337
N-(1-adamantyl)-4-(aminomethyl)cyclohexane-1-carboxamide
CID 62807277
4-amino-N-(4-methyloxan-4-yl)cyclohexane-1-carboxamide
CID 113491088
4-(aminomethyl)-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide
CID 104963779
cis-(1S,3R)-3-(methylamino)-N-(1-methylcyclopropyl)cyclopentane-1-carboxamide
CID 122513048
(2S)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]propanoic acid
CID 79526672
methyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]propanoate
CID 79527045
4-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]cyclohexane-1-carboxamide
CID 81393218
4-(aminomethyl)-N-[(4-ethylcyclohexyl)methyl]cyclohexane-1-carboxamide
CID 62807115
methyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]acetate
CID 79527105
4-(aminomethyl)-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide
CID 104963769
2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-4-methylpentanoic acid
CID 79526964

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(1-methylcyclopropyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(1-methylcyclopropyl)cyclohexane-1-carboxamide (CID 104963781) is 4-(aminomethyl)-N-(1-methylcyclopropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(1-methylcyclopropyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(1-methylcyclopropyl)cyclohexane-1-carboxamide is CC1(NC(=O)C2CCC(CN)CC2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(1-methylcyclopropyl)cyclohexane-1-carboxamide?
The InChIKey is NYRBOQDBDSGMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-12(6-7-12)14-11(15)10-4-2-9(8-13)3-5-10/h9-10H,2-8,13H2,1H3,(H,14,15).
What are the key properties of 4-(aminomethyl)-N-(1-methylcyclopropyl)cyclohexane-1-carboxamide?
4-(aminomethyl)-N-(1-methylcyclopropyl)cyclohexane-1-carboxamide has a molecular weight of 210.32 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(1-methylcyclopropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 104963781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).