1-(aminomethyl)-N-(3-hydroxybutyl)-4-methylcyclohexane-1-carboxamide

C13H26N2O2 — CID 113310530

IUPAC1-(aminomethyl)-N-(3-hydroxybutyl)-4-methylcyclohexane-1-carboxamide
SMILESCC(O)CCNC(=O)C1(CN)CCC(C)CC1
InChIInChI=1S/C13H26N2O2/c1-10-3-6-13(9-14,7-4-10)12(17)15-8-5-11(2)16/h10-11,16H,3-9,14H2,1-2H3,(H,15,17)
InChIKeyVQFKFJLRVONFKR-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.03
Rot. Bonds5

About 1-(aminomethyl)-N-(3-hydroxybutyl)-4-methylcyclohexane-1-carboxamide

1-(aminomethyl)-N-(3-hydroxybutyl)-4-methylcyclohexane-1-carboxamide (PubChem CID 113310530) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(3-hydroxybutyl)-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(3-hydroxybutyl)-4-methylcyclohexane-1-carboxamide
PubChem CID113310530
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-(aminomethyl)-N-(3-hydroxybutyl)-4-methylcyclohexane-1-carboxamide
SMILESCC(O)CCNC(=O)C1(CN)CCC(C)CC1
InChIInChI=1S/C13H26N2O2/c1-10-3-6-13(9-14,7-4-10)12(17)15-8-5-11(2)16/h10-11,16H,3-9,14H2,1-2H3,(H,15,17)
InChIKeyVQFKFJLRVONFKR-UHFFFAOYSA-N
XLogP1.03
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(3-hydroxybutyl)cyclopentane-1-carboxamide
CID 81489303
1-(aminomethyl)-4-methyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
CID 113310520
(2S)-3-[[1-(aminomethyl)-4-methylcyclohexanecarbonyl]amino]-2-hydroxypropanoic acid
CID 107835899
7-[[1-(aminomethyl)-4-methylcyclohexanecarbonyl]amino]heptanoic acid
CID 115441839
1-(aminomethyl)-4-methyl-N-pent-4-ynylcyclohexane-1-carboxamide
CID 106222021
1-(aminomethyl)-4-methyl-N-[3-oxo-3-(propylamino)propyl]cyclohexane-1-carboxamide
CID 115442026
6-[[1-(aminomethyl)-4-methylcyclohexanecarbonyl]amino]hexanoic acid
CID 115441822
1-(aminomethyl)-N-[4-(dimethylamino)butyl]-4-methylcyclohexane-1-carboxamide
CID 115442031
1-(aminomethyl)-N-(2,2-dimethylpropyl)-4-methylcyclohexane-1-carboxamide
CID 113310485
1-(aminomethyl)-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylcyclohexane-1-carboxamide
CID 115442458
1-(aminomethyl)-4-methyl-N-(2-prop-2-ynylsulfanylethyl)cyclohexane-1-carboxamide
CID 106427662
1-(aminomethyl)-N-[1-(diethylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide
CID 115442035

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(3-hydroxybutyl)-4-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(3-hydroxybutyl)-4-methylcyclohexane-1-carboxamide (CID 113310530) is 1-(aminomethyl)-N-(3-hydroxybutyl)-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(3-hydroxybutyl)-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(3-hydroxybutyl)-4-methylcyclohexane-1-carboxamide is CC(O)CCNC(=O)C1(CN)CCC(C)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(3-hydroxybutyl)-4-methylcyclohexane-1-carboxamide?
The InChIKey is VQFKFJLRVONFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10-3-6-13(9-14,7-4-10)12(17)15-8-5-11(2)16/h10-11,16H,3-9,14H2,1-2H3,(H,15,17).
What are the key properties of 1-(aminomethyl)-N-(3-hydroxybutyl)-4-methylcyclohexane-1-carboxamide?
1-(aminomethyl)-N-(3-hydroxybutyl)-4-methylcyclohexane-1-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(3-hydroxybutyl)-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 113310530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).