2-N-ethyl-2-N-(pyridin-4-ylmethyl)cyclohexane-1,2-diamine

C14H23N3 — CID 61451044

IUPAC2-N-ethyl-2-N-(pyridin-4-ylmethyl)cyclohexane-1,2-diamine
SMILESCCN(Cc1ccncc1)C1CCCCC1N
InChIInChI=1S/C14H23N3/c1-2-17(11-12-7-9-16-10-8-12)14-6-4-3-5-13(14)15/h7-10,13-14H,2-6,11,15H2,1H3
InChIKeyGLYPULVZRKOMMK-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.17
Rot. Bonds4

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

2-N-ethyl-2-N-(pyridin-4-ylmethyl)cyclohexane-1,2-diamine (PubChem CID 61451044) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-N-ethyl-2-N-(pyridin-4-ylmethyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-(pyridin-4-ylmethyl)cyclohexane-1,2-diamine
PubChem CID61451044
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2-N-ethyl-2-N-(pyridin-4-ylmethyl)cyclohexane-1,2-diamine
SMILESCCN(Cc1ccncc1)C1CCCCC1N
InChIInChI=1S/C14H23N3/c1-2-17(11-12-7-9-16-10-8-12)14-6-4-3-5-13(14)15/h7-10,13-14H,2-6,11,15H2,1H3
InChIKeyGLYPULVZRKOMMK-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-(pyridin-4-ylmethyl)cyclohexane-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-N-(pyridin-4-ylmethyl)cyclohexane-1,2-diamine (CID 61451044) is 2-N-ethyl-2-N-(pyridin-4-ylmethyl)cyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-(pyridin-4-ylmethyl)cyclohexane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N-(pyridin-4-ylmethyl)cyclohexane-1,2-diamine is CCN(Cc1ccncc1)C1CCCCC1N.
What is the InChIKey of 2-N-ethyl-2-N-(pyridin-4-ylmethyl)cyclohexane-1,2-diamine?
The InChIKey is GLYPULVZRKOMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-2-17(11-12-7-9-16-10-8-12)14-6-4-3-5-13(14)15/h7-10,13-14H,2-6,11,15H2,1H3.
What are the key properties of 2-N-ethyl-2-N-(pyridin-4-ylmethyl)cyclohexane-1,2-diamine?
2-N-ethyl-2-N-(pyridin-4-ylmethyl)cyclohexane-1,2-diamine has a molecular weight of 233.36 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-(pyridin-4-ylmethyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 61451044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).