N-[[4-methyl-2-(6-methyl-3-pyridinyl)cyclohexyl]methyl]ethanamine

C16H26N2 — CID 81031650

IUPACN-[[4-methyl-2-(6-methyl-3-pyridinyl)cyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(C)CC1c1ccc(C)nc1
InChIInChI=1S/C16H26N2/c1-4-17-10-14-7-5-12(2)9-16(14)15-8-6-13(3)18-11-15/h6,8,11-12,14,16-17H,4-5,7,9-10H2,1-3H3
InChIKeyFHGRCZWFXNHVQP-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.52
Rot. Bonds4

About N-[[4-methyl-2-(6-methyl-3-pyridinyl)cyclohexyl]methyl]ethanamine

N-[[4-methyl-2-(6-methyl-3-pyridinyl)cyclohexyl]methyl]ethanamine (PubChem CID 81031650) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[[4-methyl-2-(6-methyl-3-pyridinyl)cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-methyl-2-(6-methyl-3-pyridinyl)cyclohexyl]methyl]ethanamine
PubChem CID81031650
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[[4-methyl-2-(6-methyl-3-pyridinyl)cyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(C)CC1c1ccc(C)nc1
InChIInChI=1S/C16H26N2/c1-4-17-10-14-7-5-12(2)9-16(14)15-8-6-13(3)18-11-15/h6,8,11-12,14,16-17H,4-5,7,9-10H2,1-3H3
InChIKeyFHGRCZWFXNHVQP-UHFFFAOYSA-N
XLogP3.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(6-methyl-3-pyridinyl)cycloheptyl]methyl]ethanamine
CID 81025284
N-[[4-methyl-2-(1-methylpyrazol-4-yl)cyclohexyl]methyl]ethanamine
CID 81032019
4-methyl-2-(6-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid
CID 81020389
N-[[2-(3,5-dimethoxyphenyl)-4-methylcyclohexyl]methyl]ethanamine
CID 81033287
N-[(4-methyl-2-quinolin-5-ylcyclohexyl)methyl]ethanamine
CID 81228450
[2-(6-methyl-3-pyridinyl)cyclopropyl]methanol
CID 104824173
N-[[2-(2-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]ethanamine
CID 81031795
2-[(1S,2R)-2-(6-methyl-3-pyridinyl)cyclopropyl]acetic acid
CID 140830560
N-[[2-(1-benzofuran-2-yl)-4-methylcyclohexyl]methyl]ethanamine
CID 114735847
N-[[2-(3,5-difluorophenyl)-4-methylcyclohexyl]methyl]propan-1-amine
CID 81031514
N-[[2-(6-methyl-3-pyridinyl)cyclopentyl]methyl]cyclopropanamine
CID 81034690
N-[[2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexyl]methyl]ethanamine
CID 106882904

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(6-methyl-3-pyridinyl)cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[4-methyl-2-(6-methyl-3-pyridinyl)cyclohexyl]methyl]ethanamine (CID 81031650) is N-[[4-methyl-2-(6-methyl-3-pyridinyl)cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-methyl-2-(6-methyl-3-pyridinyl)cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[4-methyl-2-(6-methyl-3-pyridinyl)cyclohexyl]methyl]ethanamine is CCNCC1CCC(C)CC1c1ccc(C)nc1.
What is the InChIKey of N-[[4-methyl-2-(6-methyl-3-pyridinyl)cyclohexyl]methyl]ethanamine?
The InChIKey is FHGRCZWFXNHVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-17-10-14-7-5-12(2)9-16(14)15-8-6-13(3)18-11-15/h6,8,11-12,14,16-17H,4-5,7,9-10H2,1-3H3.
What are the key properties of N-[[4-methyl-2-(6-methyl-3-pyridinyl)cyclohexyl]methyl]ethanamine?
N-[[4-methyl-2-(6-methyl-3-pyridinyl)cyclohexyl]methyl]ethanamine has a molecular weight of 246.40 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(6-methyl-3-pyridinyl)cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 81031650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).