1-(4-tert-butylcyclohexyl)-2-pyridin-2-ylethanamine

C17H28N2 — CID 62718393

IUPAC1-(4-tert-butylcyclohexyl)-2-pyridin-2-ylethanamine
SMILESCC(C)(C)C1CCC(C(N)Cc2ccccn2)CC1
InChIInChI=1S/C17H28N2/c1-17(2,3)14-9-7-13(8-10-14)16(18)12-15-6-4-5-11-19-15/h4-6,11,13-14,16H,7-10,12,18H2,1-3H3
InChIKeySNWAUPCXIJUACK-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.80
Rot. Bonds3

About 1-(4-tert-butylcyclohexyl)-2-pyridin-2-ylethanamine

1-(4-tert-butylcyclohexyl)-2-pyridin-2-ylethanamine (PubChem CID 62718393) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)-2-pyridin-2-ylethanamine.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)-2-pyridin-2-ylethanamine
PubChem CID62718393
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-(4-tert-butylcyclohexyl)-2-pyridin-2-ylethanamine
SMILESCC(C)(C)C1CCC(C(N)Cc2ccccn2)CC1
InChIInChI=1S/C17H28N2/c1-17(2,3)14-9-7-13(8-10-14)16(18)12-15-6-4-5-11-19-15/h4-6,11,13-14,16H,7-10,12,18H2,1-3H3
InChIKeySNWAUPCXIJUACK-UHFFFAOYSA-N
XLogP3.80
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-1-pyridin-2-ylbutan-2-amine
CID 83155129
2-(2-cyclopropyl-3-methylbutyl)pyridine
CID 54206046
2-(2-bromo-3-cyclopropylbutyl)pyridine
CID 83152951
4-tert-butyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine
CID 65090954
1-(4-tert-butylcyclohexyl)-2-(3-methylphenyl)ethanamine
CID 63527430
[1-(4-methylcyclohexyl)-2-pyridin-2-ylethyl]hydrazine
CID 105199922
1-cyclopropyl-N-methyl-2-pyridin-2-ylethanamine
CID 63352689
1-(4-tert-butylcyclohexyl)-N-methyl-2-pyridin-2-ylpropan-1-amine
CID 66447800
(2S)-1-pyridin-2-ylpropan-2-amine
CID 42037572
1-(4-tert-butylcyclohexyl)-2-(furan-3-yl)ethanamine
CID 83175246
1-(1-amino-2-pyridin-2-ylethyl)-N,N,4-trimethylcyclohexan-1-amine
CID 79074427
2-amino-3-pyridin-2-ylpropan-1-ol;hydrochloride
CID 75525879

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)-2-pyridin-2-ylethanamine?
The IUPAC name of 1-(4-tert-butylcyclohexyl)-2-pyridin-2-ylethanamine (CID 62718393) is 1-(4-tert-butylcyclohexyl)-2-pyridin-2-ylethanamine.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)-2-pyridin-2-ylethanamine?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)-2-pyridin-2-ylethanamine is CC(C)(C)C1CCC(C(N)Cc2ccccn2)CC1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)-2-pyridin-2-ylethanamine?
The InChIKey is SNWAUPCXIJUACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-17(2,3)14-9-7-13(8-10-14)16(18)12-15-6-4-5-11-19-15/h4-6,11,13-14,16H,7-10,12,18H2,1-3H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)-2-pyridin-2-ylethanamine?
1-(4-tert-butylcyclohexyl)-2-pyridin-2-ylethanamine has a molecular weight of 260.43 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)-2-pyridin-2-ylethanamine is sourced from PubChem (CID 62718393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).