1-(4-ethylcyclohexyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine

C16H26N2 — CID 79267415

IUPAC1-(4-ethylcyclohexyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
SMILESCCC1CCC(CNCc2cccc(C)n2)CC1
InChIInChI=1S/C16H26N2/c1-3-14-7-9-15(10-8-14)11-17-12-16-6-4-5-13(2)18-16/h4-6,14-15,17H,3,7-12H2,1-2H3
InChIKeySSKLLBUHKIJXRT-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.70
Rot. Bonds5

About 1-(4-ethylcyclohexyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine

1-(4-ethylcyclohexyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine (PubChem CID 79267415) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
PubChem CID79267415
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-(4-ethylcyclohexyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
SMILESCCC1CCC(CNCc2cccc(C)n2)CC1
InChIInChI=1S/C16H26N2/c1-3-14-7-9-15(10-8-14)11-17-12-16-6-4-5-13(2)18-16/h4-6,14-15,17H,3,7-12H2,1-2H3
InChIKeySSKLLBUHKIJXRT-UHFFFAOYSA-N
XLogP3.70
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine?
The IUPAC name of 1-(4-ethylcyclohexyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine (CID 79267415) is 1-(4-ethylcyclohexyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-(4-ethylcyclohexyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine is CCC1CCC(CNCc2cccc(C)n2)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine?
The InChIKey is SSKLLBUHKIJXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-14-7-9-15(10-8-14)11-17-12-16-6-4-5-13(2)18-16/h4-6,14-15,17H,3,7-12H2,1-2H3.
What are the key properties of 1-(4-ethylcyclohexyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine?
1-(4-ethylcyclohexyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine has a molecular weight of 246.40 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine is sourced from PubChem (CID 79267415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).