1-(aminomethyl)-N,2-dimethyl-N-(pyridin-2-ylmethyl)cyclohexan-1-amine

C15H25N3 — CID 43564802

IUPAC1-(aminomethyl)-N,2-dimethyl-N-(pyridin-2-ylmethyl)cyclohexan-1-amine
SMILESCC1CCCCC1(CN)N(C)Cc1ccccn1
InChIInChI=1S/C15H25N3/c1-13-7-3-5-9-15(13,12-16)18(2)11-14-8-4-6-10-17-14/h4,6,8,10,13H,3,5,7,9,11-12,16H2,1-2H3
InChIKeyLCWDEMFVTRXTJG-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.42
Rot. Bonds4

About 1-(aminomethyl)-N,2-dimethyl-N-(pyridin-2-ylmethyl)cyclohexan-1-amine

1-(aminomethyl)-N,2-dimethyl-N-(pyridin-2-ylmethyl)cyclohexan-1-amine (PubChem CID 43564802) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-(aminomethyl)-N,2-dimethyl-N-(pyridin-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,2-dimethyl-N-(pyridin-2-ylmethyl)cyclohexan-1-amine
PubChem CID43564802
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1-(aminomethyl)-N,2-dimethyl-N-(pyridin-2-ylmethyl)cyclohexan-1-amine
SMILESCC1CCCCC1(CN)N(C)Cc1ccccn1
InChIInChI=1S/C15H25N3/c1-13-7-3-5-9-15(13,12-16)18(2)11-14-8-4-6-10-17-14/h4,6,8,10,13H,3,5,7,9,11-12,16H2,1-2H3
InChIKeyLCWDEMFVTRXTJG-UHFFFAOYSA-N
XLogP2.42
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)thian-3-amine
CID 79957696
1-(aminomethyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 61438311
1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethylcyclohexan-1-amine
CID 61438166
1-(aminomethyl)-N,3,3-trimethyl-N-(pyridin-2-ylmethyl)cyclopentan-1-amine
CID 80706158
1-(aminomethyl)-N,3,3,5,5-pentamethyl-N-(pyridin-2-ylmethyl)cyclohexan-1-amine
CID 115999031
2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(pyridin-2-ylmethyl)ethanamine
CID 104678721
cis-(1R,2S)-N,2-dimethyl-N-[[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]cyclohexan-1-amine
CID 59989994
1-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 43565091
2-(aminomethyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine
CID 80999490
1-[2-[methyl(pyridin-2-ylmethyl)amino]ethyl]cyclopentan-1-amine
CID 64677728
3-methyl-1-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 64554250
1-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylcyclopentan-1-amine
CID 65045314

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,2-dimethyl-N-(pyridin-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N,2-dimethyl-N-(pyridin-2-ylmethyl)cyclohexan-1-amine (CID 43564802) is 1-(aminomethyl)-N,2-dimethyl-N-(pyridin-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N,2-dimethyl-N-(pyridin-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N,2-dimethyl-N-(pyridin-2-ylmethyl)cyclohexan-1-amine is CC1CCCCC1(CN)N(C)Cc1ccccn1.
What is the InChIKey of 1-(aminomethyl)-N,2-dimethyl-N-(pyridin-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is LCWDEMFVTRXTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-13-7-3-5-9-15(13,12-16)18(2)11-14-8-4-6-10-17-14/h4,6,8,10,13H,3,5,7,9,11-12,16H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N,2-dimethyl-N-(pyridin-2-ylmethyl)cyclohexan-1-amine?
1-(aminomethyl)-N,2-dimethyl-N-(pyridin-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 247.39 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,2-dimethyl-N-(pyridin-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 43564802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).