4-(azocan-1-yl)benzene-1,2-diamine

C13H21N3 — CID 106750210

IUPAC4-(azocan-1-yl)benzene-1,2-diamine
SMILESNc1ccc(N2CCCCCCC2)cc1N
InChIInChI=1S/C13H21N3/c14-12-7-6-11(10-13(12)15)16-8-4-2-1-3-5-9-16/h6-7,10H,1-5,8-9,14-15H2
InChIKeyTZOAIJKGCNBNCZ-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.62
Rot. Bonds1

About 4-(azocan-1-yl)benzene-1,2-diamine

4-(azocan-1-yl)benzene-1,2-diamine (PubChem CID 106750210) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-(azocan-1-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-(azocan-1-yl)benzene-1,2-diamine
PubChem CID106750210
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name4-(azocan-1-yl)benzene-1,2-diamine
SMILESNc1ccc(N2CCCCCCC2)cc1N
InChIInChI=1S/C13H21N3/c14-12-7-6-11(10-13(12)15)16-8-4-2-1-3-5-9-16/h6-7,10H,1-5,8-9,14-15H2
InChIKeyTZOAIJKGCNBNCZ-UHFFFAOYSA-N
XLogP2.62
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(azocan-1-yl)benzene-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-piperidin-1-ylphenyl)sulfanylbenzene-1,2-diamine
CID 163265368
2-methyl-4-pyrrolidin-1-ylaniline;dihydrochloride
CID 47002820
4-(azepan-1-yl)aniline;dihydrochloride
CID 16640674
4-(azepan-1-yl)aniline;hydrochloride
CID 6603137
2-amino-5-(azepan-1-yl)benzamide
CID 61313055
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
4-(4-tert-butylazepan-1-yl)benzene-1,2-diamine
CID 106750874
4-(4-piperidin-1-ylphenyl)aniline
CID 45277459
4-(azocan-1-yl)-2-propan-2-yloxyaniline
CID 83002719
1-[4-(3,4-diaminophenyl)piperazin-1-yl]ethanone
CID 14911026
2-amino-5-piperidin-1-ylbenzenecarbothiohydrazide
CID 122525160
(2-amino-5-piperidin-1-ylphenyl) carbamate
CID 175107647

Frequently Asked Questions

What is the IUPAC name of 4-(azocan-1-yl)benzene-1,2-diamine?
The IUPAC name of 4-(azocan-1-yl)benzene-1,2-diamine (CID 106750210) is 4-(azocan-1-yl)benzene-1,2-diamine.
What is the SMILES notation for 4-(azocan-1-yl)benzene-1,2-diamine?
The canonical SMILES for 4-(azocan-1-yl)benzene-1,2-diamine is Nc1ccc(N2CCCCCCC2)cc1N.
What is the InChIKey of 4-(azocan-1-yl)benzene-1,2-diamine?
The InChIKey is TZOAIJKGCNBNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c14-12-7-6-11(10-13(12)15)16-8-4-2-1-3-5-9-16/h6-7,10H,1-5,8-9,14-15H2.
What are the key properties of 4-(azocan-1-yl)benzene-1,2-diamine?
4-(azocan-1-yl)benzene-1,2-diamine has a molecular weight of 219.33 g/mol, XLogP of 2.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azocan-1-yl)benzene-1,2-diamine is sourced from PubChem (CID 106750210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).