1-(4-butylcyclohexyl)-2-pyridin-3-ylethanamine

C17H28N2 — CID 105034554

IUPAC1-(4-butylcyclohexyl)-2-pyridin-3-ylethanamine
SMILESCCCCC1CCC(C(N)Cc2cccnc2)CC1
InChIInChI=1S/C17H28N2/c1-2-3-5-14-7-9-16(10-8-14)17(18)12-15-6-4-11-19-13-15/h4,6,11,13-14,16-17H,2-3,5,7-10,12,18H2,1H3
InChIKeyTYQKRKPKYIFFSM-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.95
Rot. Bonds6

About 1-(4-butylcyclohexyl)-2-pyridin-3-ylethanamine

1-(4-butylcyclohexyl)-2-pyridin-3-ylethanamine (PubChem CID 105034554) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 1-(4-butylcyclohexyl)-2-pyridin-3-ylethanamine.

Molecular Properties

Compound Name1-(4-butylcyclohexyl)-2-pyridin-3-ylethanamine
PubChem CID105034554
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name1-(4-butylcyclohexyl)-2-pyridin-3-ylethanamine
SMILESCCCCC1CCC(C(N)Cc2cccnc2)CC1
InChIInChI=1S/C17H28N2/c1-2-3-5-14-7-9-16(10-8-14)17(18)12-15-6-4-11-19-13-15/h4,6,11,13-14,16-17H,2-3,5,7-10,12,18H2,1H3
InChIKeyTYQKRKPKYIFFSM-UHFFFAOYSA-N
XLogP3.95
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-2-pyridin-3-ylethanamine
CID 62553066
1-(4-butylcyclohexyl)-2-(3,4-dichlorophenyl)ethanamine
CID 63527651
1-cyclopropyl-3-pyridin-3-ylpropan-2-amine
CID 64906812
3-(2-cyclopropylheptyl)pyridine
CID 57314652
N-[1-(4-propylcyclohexyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 104736387
1-(4-butylcyclohexyl)-2-(2-methylphenyl)ethanamine
CID 63528058
1-(4-butylcyclohexyl)-2-pyridin-3-ylethanone
CID 115798988
1-(4-butylcyclohexyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 105006471
1-pyridin-3-ylundecan-2-amine
CID 62603230
2-pyridin-3-yl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 104736415
1-piperidin-3-yl-2-pyridin-3-ylethanamine
CID 82396184
4-[2-(4-butylcyclohexyl)-2-chloroethyl]-3-chloropyridine
CID 115985104

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylcyclohexyl)-2-pyridin-3-ylethanamine?
The IUPAC name of 1-(4-butylcyclohexyl)-2-pyridin-3-ylethanamine (CID 105034554) is 1-(4-butylcyclohexyl)-2-pyridin-3-ylethanamine.
What is the SMILES notation for 1-(4-butylcyclohexyl)-2-pyridin-3-ylethanamine?
The canonical SMILES for 1-(4-butylcyclohexyl)-2-pyridin-3-ylethanamine is CCCCC1CCC(C(N)Cc2cccnc2)CC1.
What is the InChIKey of 1-(4-butylcyclohexyl)-2-pyridin-3-ylethanamine?
The InChIKey is TYQKRKPKYIFFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-2-3-5-14-7-9-16(10-8-14)17(18)12-15-6-4-11-19-13-15/h4,6,11,13-14,16-17H,2-3,5,7-10,12,18H2,1H3.
What are the key properties of 1-(4-butylcyclohexyl)-2-pyridin-3-ylethanamine?
1-(4-butylcyclohexyl)-2-pyridin-3-ylethanamine has a molecular weight of 260.42 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylcyclohexyl)-2-pyridin-3-ylethanamine is sourced from PubChem (CID 105034554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).