1-(aminomethyl)-N-(2,2-dimethylpropyl)-4-methylcyclohexane-1-carboxamide

C14H28N2O — CID 113310485

IUPAC1-(aminomethyl)-N-(2,2-dimethylpropyl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(CN)(C(=O)NCC(C)(C)C)CC1
InChIInChI=1S/C14H28N2O/c1-11-5-7-14(9-15,8-6-11)12(17)16-10-13(2,3)4/h11H,5-10,15H2,1-4H3,(H,16,17)
InChIKeyOIBHPSYMHBBALC-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.30
Rot. Bonds3

About 1-(aminomethyl)-N-(2,2-dimethylpropyl)-4-methylcyclohexane-1-carboxamide

1-(aminomethyl)-N-(2,2-dimethylpropyl)-4-methylcyclohexane-1-carboxamide (PubChem CID 113310485) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2,2-dimethylpropyl)-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2,2-dimethylpropyl)-4-methylcyclohexane-1-carboxamide
PubChem CID113310485
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-(aminomethyl)-N-(2,2-dimethylpropyl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(CN)(C(=O)NCC(C)(C)C)CC1
InChIInChI=1S/C14H28N2O/c1-11-5-7-14(9-15,8-6-11)12(17)16-10-13(2,3)4/h11H,5-10,15H2,1-4H3,(H,16,17)
InChIKeyOIBHPSYMHBBALC-UHFFFAOYSA-N
XLogP2.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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
1-(aminomethyl)-N-(3-hydroxybutyl)-4-methylcyclohexane-1-carboxamide
CID 113310530
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-hydroxyoxan-4-yl)methyl]-4-methylcyclohexane-1-carboxamide
CID 115442458
1-(aminomethyl)-N-[4-(dimethylamino)butyl]-4-methylcyclohexane-1-carboxamide
CID 115442031
1-(aminomethyl)-N-(2-methoxy-2-methylpropyl)cyclopropane-1-carboxamide
CID 104759874
1-(aminomethyl)-4-methyl-N-(thian-2-ylmethyl)cyclohexane-1-carboxamide
CID 115442443
1-(aminomethyl)-N-[(1,1-dioxothiolan-3-yl)methyl]-4-methylcyclohexane-1-carboxamide
CID 115441801

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2,2-dimethylpropyl)-4-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2,2-dimethylpropyl)-4-methylcyclohexane-1-carboxamide (CID 113310485) is 1-(aminomethyl)-N-(2,2-dimethylpropyl)-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2,2-dimethylpropyl)-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2,2-dimethylpropyl)-4-methylcyclohexane-1-carboxamide is CC1CCC(CN)(C(=O)NCC(C)(C)C)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(2,2-dimethylpropyl)-4-methylcyclohexane-1-carboxamide?
The InChIKey is OIBHPSYMHBBALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11-5-7-14(9-15,8-6-11)12(17)16-10-13(2,3)4/h11H,5-10,15H2,1-4H3,(H,16,17).
What are the key properties of 1-(aminomethyl)-N-(2,2-dimethylpropyl)-4-methylcyclohexane-1-carboxamide?
1-(aminomethyl)-N-(2,2-dimethylpropyl)-4-methylcyclohexane-1-carboxamide has a molecular weight of 240.39 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2,2-dimethylpropyl)-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 113310485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).