2-N-(2-pyridin-4-ylethyl)cyclohexane-1,2-diamine

C13H21N3 — CID 115118100

IUPAC2-N-(2-pyridin-4-ylethyl)cyclohexane-1,2-diamine
SMILESNC1CCCCC1NCCc1ccncc1
InChIInChI=1S/C13H21N3/c14-12-3-1-2-4-13(12)16-10-7-11-5-8-15-9-6-11/h5-6,8-9,12-13,16H,1-4,7,10,14H2
InChIKeyAHZNOVSNKAKXAW-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.48
Rot. Bonds4

About 2-N-(2-pyridin-4-ylethyl)cyclohexane-1,2-diamine

2-N-(2-pyridin-4-ylethyl)cyclohexane-1,2-diamine (PubChem CID 115118100) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-N-(2-pyridin-4-ylethyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-pyridin-4-ylethyl)cyclohexane-1,2-diamine
PubChem CID115118100
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name2-N-(2-pyridin-4-ylethyl)cyclohexane-1,2-diamine
SMILESNC1CCCCC1NCCc1ccncc1
InChIInChI=1S/C13H21N3/c14-12-3-1-2-4-13(12)16-10-7-11-5-8-15-9-6-11/h5-6,8-9,12-13,16H,1-4,7,10,14H2
InChIKeyAHZNOVSNKAKXAW-UHFFFAOYSA-N
XLogP1.48
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-pyridin-4-ylethyl)cyclohexane-1,2-diamine?
The IUPAC name of 2-N-(2-pyridin-4-ylethyl)cyclohexane-1,2-diamine (CID 115118100) is 2-N-(2-pyridin-4-ylethyl)cyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-(2-pyridin-4-ylethyl)cyclohexane-1,2-diamine?
The canonical SMILES for 2-N-(2-pyridin-4-ylethyl)cyclohexane-1,2-diamine is NC1CCCCC1NCCc1ccncc1.
What is the InChIKey of 2-N-(2-pyridin-4-ylethyl)cyclohexane-1,2-diamine?
The InChIKey is AHZNOVSNKAKXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c14-12-3-1-2-4-13(12)16-10-7-11-5-8-15-9-6-11/h5-6,8-9,12-13,16H,1-4,7,10,14H2.
What are the key properties of 2-N-(2-pyridin-4-ylethyl)cyclohexane-1,2-diamine?
2-N-(2-pyridin-4-ylethyl)cyclohexane-1,2-diamine has a molecular weight of 219.33 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-pyridin-4-ylethyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 115118100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).