4-(2-methylbutan-2-yl)-1-(4-methyl-3-pyridinyl)cyclohexan-1-amine

C17H28N2 — CID 66271811

IUPAC4-(2-methylbutan-2-yl)-1-(4-methyl-3-pyridinyl)cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(N)(c2cnccc2C)CC1
InChIInChI=1S/C17H28N2/c1-5-16(3,4)14-6-9-17(18,10-7-14)15-12-19-11-8-13(15)2/h8,11-12,14H,5-7,9-10,18H2,1-4H3
InChIKeyRRUDHWWAZFHUDV-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.17
Rot. Bonds3

About 4-(2-methylbutan-2-yl)-1-(4-methyl-3-pyridinyl)cyclohexan-1-amine

4-(2-methylbutan-2-yl)-1-(4-methyl-3-pyridinyl)cyclohexan-1-amine (PubChem CID 66271811) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-1-(4-methyl-3-pyridinyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-1-(4-methyl-3-pyridinyl)cyclohexan-1-amine
PubChem CID66271811
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name4-(2-methylbutan-2-yl)-1-(4-methyl-3-pyridinyl)cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(N)(c2cnccc2C)CC1
InChIInChI=1S/C17H28N2/c1-5-16(3,4)14-6-9-17(18,10-7-14)15-12-19-11-8-13(15)2/h8,11-12,14H,5-7,9-10,18H2,1-4H3
InChIKeyRRUDHWWAZFHUDV-UHFFFAOYSA-N
XLogP4.17
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 63407853
1-(3-methoxypyrazin-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 104514762
3,5-dimethyl-1-(4-methyl-3-pyridinyl)cyclohexan-1-amine
CID 66272032
1-(5-chloro-2-methoxyphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 63407771
1-(4-methyl-3-pyridinyl)-3-propan-2-ylcyclohexan-1-amine
CID 107450114
1-(4-ethyl-3-pyridinyl)cyclopropan-1-amine
CID 84764543
4-(2-methylbutan-2-yl)-1-pyrimidin-5-ylcyclohexan-1-ol
CID 55078560
6-(2-methylbutan-2-yl)-1-oxaspiro[2.5]octane
CID 62775070
1-(2,4-dimethylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 63406861
4-tert-butyl-1-pyridin-3-ylcyclohexan-1-amine
CID 54861250
1-(4-fluoro-2-methylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 63407074
1-[4-(2-methylphenyl)-3-pyridinyl]cyclopropan-1-amine
CID 129257632

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-1-(4-methyl-3-pyridinyl)cyclohexan-1-amine?
The IUPAC name of 4-(2-methylbutan-2-yl)-1-(4-methyl-3-pyridinyl)cyclohexan-1-amine (CID 66271811) is 4-(2-methylbutan-2-yl)-1-(4-methyl-3-pyridinyl)cyclohexan-1-amine.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-1-(4-methyl-3-pyridinyl)cyclohexan-1-amine?
The canonical SMILES for 4-(2-methylbutan-2-yl)-1-(4-methyl-3-pyridinyl)cyclohexan-1-amine is CCC(C)(C)C1CCC(N)(c2cnccc2C)CC1.
What is the InChIKey of 4-(2-methylbutan-2-yl)-1-(4-methyl-3-pyridinyl)cyclohexan-1-amine?
The InChIKey is RRUDHWWAZFHUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-5-16(3,4)14-6-9-17(18,10-7-14)15-12-19-11-8-13(15)2/h8,11-12,14H,5-7,9-10,18H2,1-4H3.
What are the key properties of 4-(2-methylbutan-2-yl)-1-(4-methyl-3-pyridinyl)cyclohexan-1-amine?
4-(2-methylbutan-2-yl)-1-(4-methyl-3-pyridinyl)cyclohexan-1-amine has a molecular weight of 260.42 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-1-(4-methyl-3-pyridinyl)cyclohexan-1-amine is sourced from PubChem (CID 66271811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).