2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(pyridin-2-ylmethyl)ethanamine

C16H27N3 — CID 104678721

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(pyridin-2-ylmethyl)ethanamine
SMILESCN(CCC1(CN)CCCCC1)Cc1ccccn1
InChIInChI=1S/C16H27N3/c1-19(13-15-7-3-6-11-18-15)12-10-16(14-17)8-4-2-5-9-16/h3,6-7,11H,2,4-5,8-10,12-14,17H2,1H3
InChIKeyAKEDGKXGOWDENN-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.81
Rot. Bonds6

About 2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(pyridin-2-ylmethyl)ethanamine

2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(pyridin-2-ylmethyl)ethanamine (PubChem CID 104678721) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(pyridin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(pyridin-2-ylmethyl)ethanamine
PubChem CID104678721
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(pyridin-2-ylmethyl)ethanamine
SMILESCN(CCC1(CN)CCCCC1)Cc1ccccn1
InChIInChI=1S/C16H27N3/c1-19(13-15-7-3-6-11-18-15)12-10-16(14-17)8-4-2-5-9-16/h3,6-7,11H,2,4-5,8-10,12-14,17H2,1H3
InChIKeyAKEDGKXGOWDENN-UHFFFAOYSA-N
XLogP2.81
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(pyridin-2-ylmethyl)ethanamine with MolForge

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Related Compounds

1-[2-[methyl(pyridin-2-ylmethyl)amino]ethyl]cyclopentan-1-amine
CID 64677728
2-[1-(aminomethyl)cyclobutyl]-N-ethyl-N-(pyridin-2-ylmethyl)ethanamine
CID 81170607
1-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 43565091
N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1-pyridin-2-ylmethanamine
CID 62390958
N-[[1-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclohexyl]methyl]ethanamine
CID 62257869
N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-1-pyridin-2-ylmethanamine
CID 115246245
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
2-[1-(aminomethyl)cyclobutyl]-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 81172532
2-(1,3-dioxan-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)ethanamine
CID 66475134
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-N-methyl-2-pyridin-2-ylethanamine
CID 65479518
N-methyl-1-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]cyclohexan-1-amine
CID 65241177

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(pyridin-2-ylmethyl)ethanamine?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(pyridin-2-ylmethyl)ethanamine (CID 104678721) is 2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(pyridin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(pyridin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(pyridin-2-ylmethyl)ethanamine is CN(CCC1(CN)CCCCC1)Cc1ccccn1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(pyridin-2-ylmethyl)ethanamine?
The InChIKey is AKEDGKXGOWDENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-19(13-15-7-3-6-11-18-15)12-10-16(14-17)8-4-2-5-9-16/h3,6-7,11H,2,4-5,8-10,12-14,17H2,1H3.
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(pyridin-2-ylmethyl)ethanamine?
2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(pyridin-2-ylmethyl)ethanamine has a molecular weight of 261.41 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(pyridin-2-ylmethyl)ethanamine is sourced from PubChem (CID 104678721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).