N,2-dimethyl-1-(4-propan-2-ylcyclohexyl)butan-1-amine

C15H31N — CID 79446345

IUPACN,2-dimethyl-1-(4-propan-2-ylcyclohexyl)butan-1-amine
SMILESCCC(C)C(NC)C1CCC(C(C)C)CC1
InChIInChI=1S/C15H31N/c1-6-12(4)15(16-5)14-9-7-13(8-10-14)11(2)3/h11-16H,6-10H2,1-5H3
InChIKeyPKRWPNHJDVLRKR-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.08
Rot. Bonds5

About N,2-dimethyl-1-(4-propan-2-ylcyclohexyl)butan-1-amine

N,2-dimethyl-1-(4-propan-2-ylcyclohexyl)butan-1-amine (PubChem CID 79446345) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is N,2-dimethyl-1-(4-propan-2-ylcyclohexyl)butan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-1-(4-propan-2-ylcyclohexyl)butan-1-amine
PubChem CID79446345
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC NameN,2-dimethyl-1-(4-propan-2-ylcyclohexyl)butan-1-amine
SMILESCCC(C)C(NC)C1CCC(C(C)C)CC1
InChIInChI=1S/C15H31N/c1-6-12(4)15(16-5)14-9-7-13(8-10-14)11(2)3/h11-16H,6-10H2,1-5H3
InChIKeyPKRWPNHJDVLRKR-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,2-dimethyl-1-(4-propylcyclohexyl)butan-1-amine
CID 79445973
N,2-dimethyl-1-(4-propan-2-ylcycloheptyl)propan-1-amine
CID 79299262
1-cyclooctyl-N,2-dimethylpentan-1-amine
CID 107893689
1-(4-tert-butylcyclohexyl)-N,2-dimethylpentan-1-amine
CID 107893901
N-ethyl-1-(4-ethylcyclohexyl)-2-methylbutan-1-amine
CID 64775258
N,2-dimethyl-1-(3-methylphosphiran-2-yl)butan-1-amine
CID 155274641
1-cyclopropyl-N-methyl-2-propylpentan-1-amine
CID 104994098
1-cyclopropyl-2-methoxy-N,3-dimethylbutan-1-amine
CID 116720061
N,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine
CID 79914209
1-cyclopropyl-N-methylpropan-1-amine
CID 20693438
propan-2-ylcyclopropane;hydroiodide
CID 162314014
3-methyl-4-(methylamino)-4-(1-methylpiperidin-4-yl)butanoic acid
CID 116953519

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-(4-propan-2-ylcyclohexyl)butan-1-amine?
The IUPAC name of N,2-dimethyl-1-(4-propan-2-ylcyclohexyl)butan-1-amine (CID 79446345) is N,2-dimethyl-1-(4-propan-2-ylcyclohexyl)butan-1-amine.
What is the SMILES notation for N,2-dimethyl-1-(4-propan-2-ylcyclohexyl)butan-1-amine?
The canonical SMILES for N,2-dimethyl-1-(4-propan-2-ylcyclohexyl)butan-1-amine is CCC(C)C(NC)C1CCC(C(C)C)CC1.
What is the InChIKey of N,2-dimethyl-1-(4-propan-2-ylcyclohexyl)butan-1-amine?
The InChIKey is PKRWPNHJDVLRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-6-12(4)15(16-5)14-9-7-13(8-10-14)11(2)3/h11-16H,6-10H2,1-5H3.
What are the key properties of N,2-dimethyl-1-(4-propan-2-ylcyclohexyl)butan-1-amine?
N,2-dimethyl-1-(4-propan-2-ylcyclohexyl)butan-1-amine has a molecular weight of 225.42 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-(4-propan-2-ylcyclohexyl)butan-1-amine is sourced from PubChem (CID 79446345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).