4-N-cyclohexyl-2-methanimidoylbenzene-1,4-diamine

C13H19N3 — CID 88581989

IUPAC4-N-cyclohexyl-2-methanimidoylbenzene-1,4-diamine
SMILES[H]/N=C/c1cc(NC2CCCCC2)ccc1N
InChIInChI=1S/C13H19N3/c14-9-10-8-12(6-7-13(10)15)16-11-4-2-1-3-5-11/h6-9,11,14,16H,1-5,15H2/b14-9+
InChIKeyJOHDYTQEWWOLIC-NTEUORMPSA-N
MW217.32 g/mol
LogP3.01
Rot. Bonds3

About 4-N-cyclohexyl-2-methanimidoylbenzene-1,4-diamine

4-N-cyclohexyl-2-methanimidoylbenzene-1,4-diamine (PubChem CID 88581989) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 4-N-cyclohexyl-2-methanimidoylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-2-methanimidoylbenzene-1,4-diamine
PubChem CID88581989
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name4-N-cyclohexyl-2-methanimidoylbenzene-1,4-diamine
SMILES[H]/N=C/c1cc(NC2CCCCC2)ccc1N
InChIInChI=1S/C13H19N3/c14-9-10-8-12(6-7-13(10)15)16-11-4-2-1-3-5-11/h6-9,11,14,16H,1-5,15H2/b14-9+
InChIKeyJOHDYTQEWWOLIC-NTEUORMPSA-N
XLogP3.01
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-2-methanimidoylbenzene-1,4-diamine?
The IUPAC name of 4-N-cyclohexyl-2-methanimidoylbenzene-1,4-diamine (CID 88581989) is 4-N-cyclohexyl-2-methanimidoylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-cyclohexyl-2-methanimidoylbenzene-1,4-diamine?
The canonical SMILES for 4-N-cyclohexyl-2-methanimidoylbenzene-1,4-diamine is [H]/N=C/c1cc(NC2CCCCC2)ccc1N.
What is the InChIKey of 4-N-cyclohexyl-2-methanimidoylbenzene-1,4-diamine?
The InChIKey is JOHDYTQEWWOLIC-NTEUORMPSA-N. The full InChI is InChI=1S/C13H19N3/c14-9-10-8-12(6-7-13(10)15)16-11-4-2-1-3-5-11/h6-9,11,14,16H,1-5,15H2/b14-9+.
What are the key properties of 4-N-cyclohexyl-2-methanimidoylbenzene-1,4-diamine?
4-N-cyclohexyl-2-methanimidoylbenzene-1,4-diamine has a molecular weight of 217.32 g/mol, XLogP of 3.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-2-methanimidoylbenzene-1,4-diamine is sourced from PubChem (CID 88581989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).