1-[4-ethyl-2-(pyridin-4-ylmethyl)cyclohexyl]-N-methylmethanamine

C16H26N2 — CID 81031325

IUPAC1-[4-ethyl-2-(pyridin-4-ylmethyl)cyclohexyl]-N-methylmethanamine
SMILESCCC1CCC(CNC)C(Cc2ccncc2)C1
InChIInChI=1S/C16H26N2/c1-3-13-4-5-15(12-17-2)16(10-13)11-14-6-8-18-9-7-14/h6-9,13,15-17H,3-5,10-12H2,1-2H3
InChIKeyRABDGCBTVAVEKN-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.29
Rot. Bonds5

About 1-[4-ethyl-2-(pyridin-4-ylmethyl)cyclohexyl]-N-methylmethanamine

1-[4-ethyl-2-(pyridin-4-ylmethyl)cyclohexyl]-N-methylmethanamine (PubChem CID 81031325) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-[4-ethyl-2-(pyridin-4-ylmethyl)cyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-ethyl-2-(pyridin-4-ylmethyl)cyclohexyl]-N-methylmethanamine
PubChem CID81031325
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-[4-ethyl-2-(pyridin-4-ylmethyl)cyclohexyl]-N-methylmethanamine
SMILESCCC1CCC(CNC)C(Cc2ccncc2)C1
InChIInChI=1S/C16H26N2/c1-3-13-4-5-15(12-17-2)16(10-13)11-14-6-8-18-9-7-14/h6-9,13,15-17H,3-5,10-12H2,1-2H3
InChIKeyRABDGCBTVAVEKN-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-ethyl-2-(pyridin-3-ylmethyl)cyclohexyl]-N-methylmethanamine
CID 113447096
4-ethyl-2-(pyridin-4-ylmethyl)cyclohexan-1-ol
CID 79422812
1-[2-(2,3-dihydro-1H-inden-5-ylmethyl)-4-ethylcyclohexyl]-N-methylmethanamine
CID 81033022
N-[(2-benzyl-4-ethylcyclohexyl)methyl]cyclopropanamine
CID 81030099
1-[4-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]-N-methylmethanamine
CID 81032455
1-[2-[(2,3-dichlorophenyl)methyl]-4-ethylcyclohexyl]-N-methylmethanamine
CID 107311092
1-[2-[(3,4-dimethylphenyl)methyl]-4-propylcyclohexyl]-N-methylmethanamine
CID 81033714
1-[4-ethyl-2-[(2-methoxyphenyl)methyl]cyclohexyl]-N-methylmethanamine
CID 81032383
N-[[4-propan-2-yl-2-(pyridin-4-ylmethyl)cyclohexyl]methyl]ethanamine
CID 81029704
N-[[4-ethyl-2-[(4-fluorophenyl)methyl]cyclohexyl]methyl]propan-2-amine
CID 81033689
1-[2-[(3,5-dimethylphenyl)methyl]-4-propylcyclohexyl]-N-methylmethanamine
CID 81033230
1-[4-ethyl-2-(methoxymethyl)cyclohexyl]-N-methylmethanamine
CID 81031850

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-2-(pyridin-4-ylmethyl)cyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[4-ethyl-2-(pyridin-4-ylmethyl)cyclohexyl]-N-methylmethanamine (CID 81031325) is 1-[4-ethyl-2-(pyridin-4-ylmethyl)cyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-ethyl-2-(pyridin-4-ylmethyl)cyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-ethyl-2-(pyridin-4-ylmethyl)cyclohexyl]-N-methylmethanamine is CCC1CCC(CNC)C(Cc2ccncc2)C1.
What is the InChIKey of 1-[4-ethyl-2-(pyridin-4-ylmethyl)cyclohexyl]-N-methylmethanamine?
The InChIKey is RABDGCBTVAVEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-13-4-5-15(12-17-2)16(10-13)11-14-6-8-18-9-7-14/h6-9,13,15-17H,3-5,10-12H2,1-2H3.
What are the key properties of 1-[4-ethyl-2-(pyridin-4-ylmethyl)cyclohexyl]-N-methylmethanamine?
1-[4-ethyl-2-(pyridin-4-ylmethyl)cyclohexyl]-N-methylmethanamine has a molecular weight of 246.40 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethyl-2-(pyridin-4-ylmethyl)cyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 81031325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).