1-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine

C12H19N3 — CID 162146330

IUPAC1-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
SMILESNC1CCC(N)(Cc2cccnc2)CC1
InChIInChI=1S/C12H19N3/c13-11-3-5-12(14,6-4-11)8-10-2-1-7-15-9-10/h1-2,7,9,11H,3-6,8,13-14H2
InChIKeyZKPJXWXACDZXPZ-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.22
Rot. Bonds2

About 1-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine

1-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine (PubChem CID 162146330) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 1-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
PubChem CID162146330
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name1-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
SMILESNC1CCC(N)(Cc2cccnc2)CC1
InChIInChI=1S/C12H19N3/c13-11-3-5-12(14,6-4-11)8-10-2-1-7-15-9-10/h1-2,7,9,11H,3-6,8,13-14H2
InChIKeyZKPJXWXACDZXPZ-UHFFFAOYSA-N
XLogP1.22
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(pyridin-3-ylmethyl)cyclopentan-1-amine
CID 104735900
4-(pyridin-3-ylmethyl)piperidin-4-amine
CID 86277721
4-tert-butyl-1-(pyridin-3-ylmethyl)cycloheptan-1-amine
CID 104735914
3-methyl-1-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 104735858
2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-naphthalen-2-amine
CID 113446872
4-amino-4-(pyridin-3-ylmethyl)piperidine-1-carboxylic acid
CID 166652941
[1-(pyridin-3-ylmethyl)cyclopropyl]methanamine;dihydrochloride
CID 86277054
2,2-dimethyl-1-(pyridin-3-ylmethyl)cyclopentan-1-amine
CID 104735918
4-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 54928175
1-(pyridin-3-ylmethyl)cyclopropane-1-carbaldehyde
CID 131187567
3-(pyridin-3-ylmethyl)cycloheptan-1-amine
CID 104736993
1,3,3-trimethyl-2-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptan-2-ol
CID 113446853

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine?
The IUPAC name of 1-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine (CID 162146330) is 1-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 1-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine?
The canonical SMILES for 1-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine is NC1CCC(N)(Cc2cccnc2)CC1.
What is the InChIKey of 1-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine?
The InChIKey is ZKPJXWXACDZXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c13-11-3-5-12(14,6-4-11)8-10-2-1-7-15-9-10/h1-2,7,9,11H,3-6,8,13-14H2.
What are the key properties of 1-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine?
1-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine has a molecular weight of 205.31 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 162146330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).