4-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-amine

C14H23N3 — CID 54928175

IUPAC4-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-amine
SMILESCN(Cc1cccnc1)CC1CCC(N)CC1
InChIInChI=1S/C14H23N3/c1-17(11-13-3-2-8-16-9-13)10-12-4-6-14(15)7-5-12/h2-3,8-9,12,14H,4-7,10-11,15H2,1H3
InChIKeyNMNWJAHVSMJXTH-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.03
Rot. Bonds4

About 4-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-amine

4-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-amine (PubChem CID 54928175) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 4-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-amine
PubChem CID54928175
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name4-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-amine
SMILESCN(Cc1cccnc1)CC1CCC(N)CC1
InChIInChI=1S/C14H23N3/c1-17(11-13-3-2-8-16-9-13)10-12-4-6-14(15)7-5-12/h2-3,8-9,12,14H,4-7,10-11,15H2,1H3
InChIKeyNMNWJAHVSMJXTH-UHFFFAOYSA-N
XLogP2.03
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-ethyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 79116173
N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 70713449
4-[[(3-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-amine
CID 61417130
4-N-propyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 79112211
2-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]cyclopentan-1-amine
CID 79569163
4-[[methyl(2-pyridin-3-ylethyl)amino]methyl]cyclohexan-1-ol
CID 115239951
N'-methyl-N'-(pyridin-3-ylmethyl)but-2-ene-1,4-diamine
CID 77110305
4-amino-N-propan-2-yl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 60962806
(3S)-N-ethyl-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-sulfonamide
CID 99837715
N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine
CID 43563175
1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 102894289
N,2,2-trimethyl-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 79866723

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-amine?
The IUPAC name of 4-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-amine (CID 54928175) is 4-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-amine is CN(Cc1cccnc1)CC1CCC(N)CC1.
What is the InChIKey of 4-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-amine?
The InChIKey is NMNWJAHVSMJXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-17(11-13-3-2-8-16-9-13)10-12-4-6-14(15)7-5-12/h2-3,8-9,12,14H,4-7,10-11,15H2,1H3.
What are the key properties of 4-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-amine?
4-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 54928175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).