2-(cyclohexylmethyl)pyridine-3,4-diamine

C12H19N3 — CID 151431444

IUPAC2-(cyclohexylmethyl)pyridine-3,4-diamine
SMILESNc1ccnc(CC2CCCCC2)c1N
InChIInChI=1S/C12H19N3/c13-10-6-7-15-11(12(10)14)8-9-4-2-1-3-5-9/h6-7,9H,1-5,8,14H2,(H2,13,15)
InChIKeyPCPFVTKNFSCIQL-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.37
Rot. Bonds2

About 2-(cyclohexylmethyl)pyridine-3,4-diamine

2-(cyclohexylmethyl)pyridine-3,4-diamine (PubChem CID 151431444) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name2-(cyclohexylmethyl)pyridine-3,4-diamine
PubChem CID151431444
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name2-(cyclohexylmethyl)pyridine-3,4-diamine
SMILESNc1ccnc(CC2CCCCC2)c1N
InChIInChI=1S/C12H19N3/c13-10-6-7-15-11(12(10)14)8-9-4-2-1-3-5-9/h6-7,9H,1-5,8,14H2,(H2,13,15)
InChIKeyPCPFVTKNFSCIQL-UHFFFAOYSA-N
XLogP2.37
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)pyridine-3,4-diamine?
The IUPAC name of 2-(cyclohexylmethyl)pyridine-3,4-diamine (CID 151431444) is 2-(cyclohexylmethyl)pyridine-3,4-diamine.
What is the SMILES notation for 2-(cyclohexylmethyl)pyridine-3,4-diamine?
The canonical SMILES for 2-(cyclohexylmethyl)pyridine-3,4-diamine is Nc1ccnc(CC2CCCCC2)c1N.
What is the InChIKey of 2-(cyclohexylmethyl)pyridine-3,4-diamine?
The InChIKey is PCPFVTKNFSCIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c13-10-6-7-15-11(12(10)14)8-9-4-2-1-3-5-9/h6-7,9H,1-5,8,14H2,(H2,13,15).
What are the key properties of 2-(cyclohexylmethyl)pyridine-3,4-diamine?
2-(cyclohexylmethyl)pyridine-3,4-diamine has a molecular weight of 205.30 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)pyridine-3,4-diamine is sourced from PubChem (CID 151431444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).