4-(aminomethyl)-N-cyclohexylhexanamide

C13H26N2O — CID 112515401

IUPAC4-(aminomethyl)-N-cyclohexylhexanamide
SMILESCCC(CN)CCC(=O)NC1CCCCC1
InChIInChI=1S/C13H26N2O/c1-2-11(10-14)8-9-13(16)15-12-6-4-3-5-7-12/h11-12H,2-10,14H2,1H3,(H,15,16)
InChIKeyCQEQRCNRQUMZPK-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.20
Rot. Bonds6

About 4-(aminomethyl)-N-cyclohexylhexanamide

4-(aminomethyl)-N-cyclohexylhexanamide (PubChem CID 112515401) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 4-(aminomethyl)-N-cyclohexylhexanamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-cyclohexylhexanamide
PubChem CID112515401
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name4-(aminomethyl)-N-cyclohexylhexanamide
SMILESCCC(CN)CCC(=O)NC1CCCCC1
InChIInChI=1S/C13H26N2O/c1-2-11(10-14)8-9-13(16)15-12-6-4-3-5-7-12/h11-12H,2-10,14H2,1H3,(H,15,16)
InChIKeyCQEQRCNRQUMZPK-UHFFFAOYSA-N
XLogP2.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-N-(1-cyclohexylethyl)pentanamide
CID 81086978
N-cyclooctylbutanamide
CID 4614062
3-[(2-amino-1-cyclopropylethyl)-methylamino]-N-cyclohexylpropanamide
CID 116653118
4-amino-N-cyclohexyl-3-methylbutanamide
CID 81070976
(2R)-5-(cyclohexylamino)-2-methyl-5-oxopentanoic acid
CID 2200165
6-amino-N-[(1R)-1-cyclopentylethyl]-4-ethylhexanamide
CID 81390852
N'-cyclododecyl-N-[(2S)-2-ethylhexyl]butanediamide
CID 7298055
(2S)-2-amino-N-[3-(cyclohexylamino)-3-oxopropyl]propanamide;hydrochloride
CID 119299474
N'-cyclododecyl-N-(3-methylbutyl)butanediamide
CID 3884403
3-amino-N-[3-(cyclohexylamino)-3-oxopropyl]butanamide;hydrochloride
CID 119741948
3-(2-aminobutylsulfanyl)-N-cyclohexylpropanamide
CID 66228468
N-cyclooctylpropanamide
CID 3387497

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-cyclohexylhexanamide?
The IUPAC name of 4-(aminomethyl)-N-cyclohexylhexanamide (CID 112515401) is 4-(aminomethyl)-N-cyclohexylhexanamide.
What is the SMILES notation for 4-(aminomethyl)-N-cyclohexylhexanamide?
The canonical SMILES for 4-(aminomethyl)-N-cyclohexylhexanamide is CCC(CN)CCC(=O)NC1CCCCC1.
What is the InChIKey of 4-(aminomethyl)-N-cyclohexylhexanamide?
The InChIKey is CQEQRCNRQUMZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-2-11(10-14)8-9-13(16)15-12-6-4-3-5-7-12/h11-12H,2-10,14H2,1H3,(H,15,16).
What are the key properties of 4-(aminomethyl)-N-cyclohexylhexanamide?
4-(aminomethyl)-N-cyclohexylhexanamide has a molecular weight of 226.36 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-cyclohexylhexanamide is sourced from PubChem (CID 112515401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).