1-(4-tert-butylcyclohexyl)-N,2-dimethylpentan-1-amine

C17H35N — CID 107893901

IUPAC1-(4-tert-butylcyclohexyl)-N,2-dimethylpentan-1-amine
SMILESCCCC(C)C(NC)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H35N/c1-7-8-13(2)16(18-6)14-9-11-15(12-10-14)17(3,4)5/h13-16,18H,7-12H2,1-6H3
InChIKeyCNCQTHWWWUEVKE-UHFFFAOYSA-N
MW253.47 g/mol
LogP4.86
Rot. Bonds5

About 1-(4-tert-butylcyclohexyl)-N,2-dimethylpentan-1-amine

1-(4-tert-butylcyclohexyl)-N,2-dimethylpentan-1-amine (PubChem CID 107893901) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)-N,2-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)-N,2-dimethylpentan-1-amine
PubChem CID107893901
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Name1-(4-tert-butylcyclohexyl)-N,2-dimethylpentan-1-amine
SMILESCCCC(C)C(NC)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H35N/c1-7-8-13(2)16(18-6)14-9-11-15(12-10-14)17(3,4)5/h13-16,18H,7-12H2,1-6H3
InChIKeyCNCQTHWWWUEVKE-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.47
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclooctyl-N,2-dimethylpentan-1-amine
CID 107893689
1-(4-tert-butylcyclohexyl)-N-methylpentan-1-amine
CID 65402958
1-cyclopropyl-N-methyl-2-propylpentan-1-amine
CID 104994098
N,2-dimethyl-1-(4-propylcyclohexyl)butan-1-amine
CID 79445973
N,2-dimethyl-1-(4-propan-2-ylcyclohexyl)butan-1-amine
CID 79446345
(1-cyclopentyl-2-methylpentyl)hydrazine
CID 105282461
N,2-dimethyl-1-(oxan-3-yl)pentan-1-amine
CID 107138713
N-ethyl-2-methyl-1-(4-methylcyclohexyl)pentan-1-amine
CID 104988154
1-(4-tert-butylcyclohexyl)-N,2,2-trimethylpropan-1-amine
CID 65400554
tert-butylcyclopropane;1-cyclopropylethylcyclopropane
CID 157166349
1-(4-tert-butylcyclohexyl)-N-methyl-2-pyridin-2-ylpropan-1-amine
CID 66447800
4-tert-butyl-N-methyl-2-(2-methylpentyl)cyclohexan-1-amine
CID 63401489

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)-N,2-dimethylpentan-1-amine?
The IUPAC name of 1-(4-tert-butylcyclohexyl)-N,2-dimethylpentan-1-amine (CID 107893901) is 1-(4-tert-butylcyclohexyl)-N,2-dimethylpentan-1-amine.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)-N,2-dimethylpentan-1-amine?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)-N,2-dimethylpentan-1-amine is CCCC(C)C(NC)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)-N,2-dimethylpentan-1-amine?
The InChIKey is CNCQTHWWWUEVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-7-8-13(2)16(18-6)14-9-11-15(12-10-14)17(3,4)5/h13-16,18H,7-12H2,1-6H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)-N,2-dimethylpentan-1-amine?
1-(4-tert-butylcyclohexyl)-N,2-dimethylpentan-1-amine has a molecular weight of 253.47 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)-N,2-dimethylpentan-1-amine is sourced from PubChem (CID 107893901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).