(4-butylcyclohexyl)-(6-methyl-3-pyridinyl)methanamine

C17H28N2 — CID 115854740

IUPAC(4-butylcyclohexyl)-(6-methyl-3-pyridinyl)methanamine
SMILESCCCCC1CCC(C(N)c2ccc(C)nc2)CC1
InChIInChI=1S/C17H28N2/c1-3-4-5-14-7-10-15(11-8-14)17(18)16-9-6-13(2)19-12-16/h6,9,12,14-15,17H,3-5,7-8,10-11,18H2,1-2H3
InChIKeyMHMLKJWPYMWAQE-UHFFFAOYSA-N
MW260.43 g/mol
LogP4.39
Rot. Bonds5

About (4-butylcyclohexyl)-(6-methyl-3-pyridinyl)methanamine

(4-butylcyclohexyl)-(6-methyl-3-pyridinyl)methanamine (PubChem CID 115854740) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is (4-butylcyclohexyl)-(6-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(4-butylcyclohexyl)-(6-methyl-3-pyridinyl)methanamine
PubChem CID115854740
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name(4-butylcyclohexyl)-(6-methyl-3-pyridinyl)methanamine
SMILESCCCCC1CCC(C(N)c2ccc(C)nc2)CC1
InChIInChI=1S/C17H28N2/c1-3-4-5-14-7-10-15(11-8-14)17(18)16-9-6-13(2)19-12-16/h6,9,12,14-15,17H,3-5,7-8,10-11,18H2,1-2H3
InChIKeyMHMLKJWPYMWAQE-UHFFFAOYSA-N
XLogP4.39
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6-methyl-3-pyridinyl)-(4-propylcyclohexyl)methanamine
CID 65424529
(4-butylcyclohexyl)-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 65299288
(4-butylcyclohexyl)-(5-methylfuran-2-yl)methanamine
CID 63503968
(4-butylcyclohexyl)-(3-propyltriazol-4-yl)methanamine
CID 105038676
2-cyclopentyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 115854888
(4-ethoxyphenyl)-(4-propylcyclohexyl)methanamine
CID 65422984
[(3-ethylcyclopentyl)-(6-methyl-3-pyridinyl)methyl]hydrazine
CID 105233565
(4-butylcyclohexyl)-(2-methylimidazo[1,2-a]pyridin-3-yl)methanamine
CID 82029185
(4-butylcyclohexyl)-cyclopropylmethanamine
CID 104994185
[(4-butylcyclohexyl)-(4-methylphenyl)methyl]hydrazine
CID 105285296
(4-butylcyclohexyl)-(2-fluorophenyl)methanamine
CID 115827979
(2-methylcyclopropyl)-(6-methyl-3-pyridinyl)methanamine
CID 65422768

Frequently Asked Questions

What is the IUPAC name of (4-butylcyclohexyl)-(6-methyl-3-pyridinyl)methanamine?
The IUPAC name of (4-butylcyclohexyl)-(6-methyl-3-pyridinyl)methanamine (CID 115854740) is (4-butylcyclohexyl)-(6-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for (4-butylcyclohexyl)-(6-methyl-3-pyridinyl)methanamine?
The canonical SMILES for (4-butylcyclohexyl)-(6-methyl-3-pyridinyl)methanamine is CCCCC1CCC(C(N)c2ccc(C)nc2)CC1.
What is the InChIKey of (4-butylcyclohexyl)-(6-methyl-3-pyridinyl)methanamine?
The InChIKey is MHMLKJWPYMWAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-4-5-14-7-10-15(11-8-14)17(18)16-9-6-13(2)19-12-16/h6,9,12,14-15,17H,3-5,7-8,10-11,18H2,1-2H3.
What are the key properties of (4-butylcyclohexyl)-(6-methyl-3-pyridinyl)methanamine?
(4-butylcyclohexyl)-(6-methyl-3-pyridinyl)methanamine has a molecular weight of 260.43 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylcyclohexyl)-(6-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 115854740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).