2-N-pyridin-4-ylcyclohexane-1,2-diamine

C11H17N3 — CID 61038015

IUPAC2-N-pyridin-4-ylcyclohexane-1,2-diamine
SMILESNC1CCCCC1Nc1ccncc1
InChIInChI=1S/C11H17N3/c12-10-3-1-2-4-11(10)14-9-5-7-13-8-6-9/h5-8,10-11H,1-4,12H2,(H,13,14)
InChIKeyWGHJPYSBLSDFEQ-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.76
Rot. Bonds2

About 2-N-pyridin-4-ylcyclohexane-1,2-diamine

2-N-pyridin-4-ylcyclohexane-1,2-diamine (PubChem CID 61038015) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 2-N-pyridin-4-ylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-pyridin-4-ylcyclohexane-1,2-diamine
PubChem CID61038015
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name2-N-pyridin-4-ylcyclohexane-1,2-diamine
SMILESNC1CCCCC1Nc1ccncc1
InChIInChI=1S/C11H17N3/c12-10-3-1-2-4-11(10)14-9-5-7-13-8-6-9/h5-8,10-11H,1-4,12H2,(H,13,14)
InChIKeyWGHJPYSBLSDFEQ-UHFFFAOYSA-N
XLogP1.76
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-pyridin-4-ylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-pyridin-4-ylcyclohexane-1,2-diamine (CID 61038015) is 2-N-pyridin-4-ylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-pyridin-4-ylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-pyridin-4-ylcyclohexane-1,2-diamine is NC1CCCCC1Nc1ccncc1.
What is the InChIKey of 2-N-pyridin-4-ylcyclohexane-1,2-diamine?
The InChIKey is WGHJPYSBLSDFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c12-10-3-1-2-4-11(10)14-9-5-7-13-8-6-9/h5-8,10-11H,1-4,12H2,(H,13,14).
What are the key properties of 2-N-pyridin-4-ylcyclohexane-1,2-diamine?
2-N-pyridin-4-ylcyclohexane-1,2-diamine has a molecular weight of 191.28 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-pyridin-4-ylcyclohexane-1,2-diamine is sourced from PubChem (CID 61038015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).