3-amino-2-methyl-N,N-bis(3-methylbutyl)cyclohexane-1-carboxamide

C18H36N2O — CID 107871513

IUPAC3-amino-2-methyl-N,N-bis(3-methylbutyl)cyclohexane-1-carboxamide
SMILESCC(C)CCN(CCC(C)C)C(=O)C1CCCC(N)C1C
InChIInChI=1S/C18H36N2O/c1-13(2)9-11-20(12-10-14(3)4)18(21)16-7-6-8-17(19)15(16)5/h13-17H,6-12,19H2,1-5H3
InChIKeyDCWFJKHXVISDQO-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.67
Rot. Bonds7

About 3-amino-2-methyl-N,N-bis(3-methylbutyl)cyclohexane-1-carboxamide

3-amino-2-methyl-N,N-bis(3-methylbutyl)cyclohexane-1-carboxamide (PubChem CID 107871513) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 3-amino-2-methyl-N,N-bis(3-methylbutyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-2-methyl-N,N-bis(3-methylbutyl)cyclohexane-1-carboxamide
PubChem CID107871513
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name3-amino-2-methyl-N,N-bis(3-methylbutyl)cyclohexane-1-carboxamide
SMILESCC(C)CCN(CCC(C)C)C(=O)C1CCCC(N)C1C
InChIInChI=1S/C18H36N2O/c1-13(2)9-11-20(12-10-14(3)4)18(21)16-7-6-8-17(19)15(16)5/h13-17H,6-12,19H2,1-5H3
InChIKeyDCWFJKHXVISDQO-UHFFFAOYSA-N
XLogP3.67
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

3-amino-N,N-diethyl-2-methylcyclohexane-1-carboxamide
CID 62777725
3-amino-N,2-dimethyl-N-(4-methylpentan-2-yl)cyclohexane-1-carboxamide
CID 55115501
3-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylcyclohexane-1-carboxamide
CID 103191959
2-amino-N-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide
CID 62777186
3-amino-N,2-dimethyl-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide
CID 81074150
3-amino-N-cyclopentyl-N-ethyl-2-methylcyclohexane-1-carboxamide
CID 55116462
6-methyl-N,N-bis(3-methylbutyl)piperidine-2-carboxamide
CID 107869879
cis-(1R,2S)-2-[bis(2-methylpropyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 847386
3-amino-N-(3-methoxypropyl)-N,2-dimethylcyclohexane-1-carboxamide
CID 63009884
3-amino-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide
CID 55116859
3-amino-N,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 62782674
2-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide
CID 64824749

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N,N-bis(3-methylbutyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-2-methyl-N,N-bis(3-methylbutyl)cyclohexane-1-carboxamide (CID 107871513) is 3-amino-2-methyl-N,N-bis(3-methylbutyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-2-methyl-N,N-bis(3-methylbutyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-2-methyl-N,N-bis(3-methylbutyl)cyclohexane-1-carboxamide is CC(C)CCN(CCC(C)C)C(=O)C1CCCC(N)C1C.
What is the InChIKey of 3-amino-2-methyl-N,N-bis(3-methylbutyl)cyclohexane-1-carboxamide?
The InChIKey is DCWFJKHXVISDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-13(2)9-11-20(12-10-14(3)4)18(21)16-7-6-8-17(19)15(16)5/h13-17H,6-12,19H2,1-5H3.
What are the key properties of 3-amino-2-methyl-N,N-bis(3-methylbutyl)cyclohexane-1-carboxamide?
3-amino-2-methyl-N,N-bis(3-methylbutyl)cyclohexane-1-carboxamide has a molecular weight of 296.50 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N,N-bis(3-methylbutyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 107871513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).