1-[4-ethyl-2-(pyridin-3-ylmethyl)cyclohexyl]-N-methylmethanamine

C16H26N2 — CID 113447096

IUPAC1-[4-ethyl-2-(pyridin-3-ylmethyl)cyclohexyl]-N-methylmethanamine
SMILESCCC1CCC(CNC)C(Cc2cccnc2)C1
InChIInChI=1S/C16H26N2/c1-3-13-6-7-15(12-17-2)16(9-13)10-14-5-4-8-18-11-14/h4-5,8,11,13,15-17H,3,6-7,9-10,12H2,1-2H3
InChIKeyPFHDUSKOFIPZKR-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.29
Rot. Bonds5

About 1-[4-ethyl-2-(pyridin-3-ylmethyl)cyclohexyl]-N-methylmethanamine

1-[4-ethyl-2-(pyridin-3-ylmethyl)cyclohexyl]-N-methylmethanamine (PubChem CID 113447096) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-[4-ethyl-2-(pyridin-3-ylmethyl)cyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-ethyl-2-(pyridin-3-ylmethyl)cyclohexyl]-N-methylmethanamine
PubChem CID113447096
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-[4-ethyl-2-(pyridin-3-ylmethyl)cyclohexyl]-N-methylmethanamine
SMILESCCC1CCC(CNC)C(Cc2cccnc2)C1
InChIInChI=1S/C16H26N2/c1-3-13-6-7-15(12-17-2)16(9-13)10-14-5-4-8-18-11-14/h4-5,8,11,13,15-17H,3,6-7,9-10,12H2,1-2H3
InChIKeyPFHDUSKOFIPZKR-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-4-ylmethyl)cyclohexyl]-N-methylmethanamine
CID 81031325
N-[[4-propyl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]propan-2-amine
CID 104737410
N-[[4-methyl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]propan-1-amine
CID 104737396
1-[2-(2,3-dihydro-1H-inden-5-ylmethyl)-4-ethylcyclohexyl]-N-methylmethanamine
CID 81033022
N-[(2-benzyl-4-ethylcyclohexyl)methyl]cyclopropanamine
CID 81030099
2-methyl-N-[[2-(pyridin-3-ylmethyl)cyclobutyl]methyl]propan-1-amine
CID 104737366
1-[2-[(2,3-dichlorophenyl)methyl]-4-ethylcyclohexyl]-N-methylmethanamine
CID 107311092
N-[[4-propan-2-yl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine
CID 104737416
1-(3-ethylcyclopentyl)-2-pyridin-3-ylethanone
CID 104735977
1-[4-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]-N-methylmethanamine
CID 81032455
N-[[2-[(5-bromo-3-pyridinyl)methyl]-4-ethylcyclohexyl]methyl]cyclopropanamine
CID 104813951
N-[[2-[(5-bromo-3-pyridinyl)methyl]-4-ethylcyclohexyl]methyl]propan-2-amine
CID 104813948

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-2-(pyridin-3-ylmethyl)cyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[4-ethyl-2-(pyridin-3-ylmethyl)cyclohexyl]-N-methylmethanamine (CID 113447096) is 1-[4-ethyl-2-(pyridin-3-ylmethyl)cyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-ethyl-2-(pyridin-3-ylmethyl)cyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-ethyl-2-(pyridin-3-ylmethyl)cyclohexyl]-N-methylmethanamine is CCC1CCC(CNC)C(Cc2cccnc2)C1.
What is the InChIKey of 1-[4-ethyl-2-(pyridin-3-ylmethyl)cyclohexyl]-N-methylmethanamine?
The InChIKey is PFHDUSKOFIPZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-13-6-7-15(12-17-2)16(9-13)10-14-5-4-8-18-11-14/h4-5,8,11,13,15-17H,3,6-7,9-10,12H2,1-2H3.
What are the key properties of 1-[4-ethyl-2-(pyridin-3-ylmethyl)cyclohexyl]-N-methylmethanamine?
1-[4-ethyl-2-(pyridin-3-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-3-ylmethyl)cyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 113447096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).