4-(aminomethyl)-N,N-bis(3-methylbutyl)cyclohexane-1-carboxamide

C18H36N2O — CID 79510877

IUPAC4-(aminomethyl)-N,N-bis(3-methylbutyl)cyclohexane-1-carboxamide
SMILESCC(C)CCN(CCC(C)C)C(=O)C1CCC(CN)CC1
InChIInChI=1S/C18H36N2O/c1-14(2)9-11-20(12-10-15(3)4)18(21)17-7-5-16(13-19)6-8-17/h14-17H,5-13,19H2,1-4H3
InChIKeyYPGYKLQXORCDMS-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.67
Rot. Bonds8

About 4-(aminomethyl)-N,N-bis(3-methylbutyl)cyclohexane-1-carboxamide

4-(aminomethyl)-N,N-bis(3-methylbutyl)cyclohexane-1-carboxamide (PubChem CID 79510877) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 4-(aminomethyl)-N,N-bis(3-methylbutyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N,N-bis(3-methylbutyl)cyclohexane-1-carboxamide
PubChem CID79510877
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name4-(aminomethyl)-N,N-bis(3-methylbutyl)cyclohexane-1-carboxamide
SMILESCC(C)CCN(CCC(C)C)C(=O)C1CCC(CN)CC1
InChIInChI=1S/C18H36N2O/c1-14(2)9-11-20(12-10-15(3)4)18(21)17-7-5-16(13-19)6-8-17/h14-17H,5-13,19H2,1-4H3
InChIKeyYPGYKLQXORCDMS-UHFFFAOYSA-N
XLogP3.67
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 62806942
4-(aminomethyl)-N-(1-cyclopropylethyl)-N-methylcyclohexane-1-carboxamide
CID 79527619
4-(aminomethyl)-N-butan-2-yl-N-ethylcyclohexane-1-carboxamide
CID 62808177
4-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide
CID 102992877
4-(aminomethyl)-N-methyl-N-propylcyclohexane-1-carboxamide
CID 62806413
4-(aminomethyl)-N-(2-cyanoethyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 79526805
2-[4-[methyl(3-methylbutyl)carbamoyl]cyclohexyl]acetic acid
CID 115150971
4-(2-hydroxyethyl)-N-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide
CID 115151021
(2S,4S)-2-methyl-N,N-bis(3-methylbutyl)piperidine-4-carboxamide
CID 120616325
4-(aminomethyl)-N-ethyl-N-prop-2-enylcyclohexane-1-carboxamide
CID 81489650
4-hydroxy-N-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide
CID 115150844
4-[cyclopropyl(3-methylbutyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 78951224

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N,N-bis(3-methylbutyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N,N-bis(3-methylbutyl)cyclohexane-1-carboxamide (CID 79510877) is 4-(aminomethyl)-N,N-bis(3-methylbutyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N,N-bis(3-methylbutyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N,N-bis(3-methylbutyl)cyclohexane-1-carboxamide is CC(C)CCN(CCC(C)C)C(=O)C1CCC(CN)CC1.
What is the InChIKey of 4-(aminomethyl)-N,N-bis(3-methylbutyl)cyclohexane-1-carboxamide?
The InChIKey is YPGYKLQXORCDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-14(2)9-11-20(12-10-15(3)4)18(21)17-7-5-16(13-19)6-8-17/h14-17H,5-13,19H2,1-4H3.
What are the key properties of 4-(aminomethyl)-N,N-bis(3-methylbutyl)cyclohexane-1-carboxamide?
4-(aminomethyl)-N,N-bis(3-methylbutyl)cyclohexane-1-carboxamide has a molecular weight of 296.50 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N,N-bis(3-methylbutyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 79510877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).