4-(3-azabicyclo[3.1.0]hexan-3-yl)benzene-1,2-diamine

C11H15N3 — CID 131071375

IUPAC4-(3-azabicyclo[3.1.0]hexan-3-yl)benzene-1,2-diamine
SMILESNc1ccc(N2CC3CC3C2)cc1N
InChIInChI=1S/C11H15N3/c12-10-2-1-9(4-11(10)13)14-5-7-3-8(7)6-14/h1-2,4,7-8H,3,5-6,12-13H2
InChIKeyLAZOGRSZCFQPQQ-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.31
Rot. Bonds1

About 4-(3-azabicyclo[3.1.0]hexan-3-yl)benzene-1,2-diamine

4-(3-azabicyclo[3.1.0]hexan-3-yl)benzene-1,2-diamine (PubChem CID 131071375) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 4-(3-azabicyclo[3.1.0]hexan-3-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-(3-azabicyclo[3.1.0]hexan-3-yl)benzene-1,2-diamine
PubChem CID131071375
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name4-(3-azabicyclo[3.1.0]hexan-3-yl)benzene-1,2-diamine
SMILESNc1ccc(N2CC3CC3C2)cc1N
InChIInChI=1S/C11H15N3/c12-10-2-1-9(4-11(10)13)14-5-7-3-8(7)6-14/h1-2,4,7-8H,3,5-6,12-13H2
InChIKeyLAZOGRSZCFQPQQ-UHFFFAOYSA-N
XLogP1.31
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-azabicyclo[3.1.0]hexan-3-yl)benzene-1,2-diamine?
The IUPAC name of 4-(3-azabicyclo[3.1.0]hexan-3-yl)benzene-1,2-diamine (CID 131071375) is 4-(3-azabicyclo[3.1.0]hexan-3-yl)benzene-1,2-diamine.
What is the SMILES notation for 4-(3-azabicyclo[3.1.0]hexan-3-yl)benzene-1,2-diamine?
The canonical SMILES for 4-(3-azabicyclo[3.1.0]hexan-3-yl)benzene-1,2-diamine is Nc1ccc(N2CC3CC3C2)cc1N.
What is the InChIKey of 4-(3-azabicyclo[3.1.0]hexan-3-yl)benzene-1,2-diamine?
The InChIKey is LAZOGRSZCFQPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c12-10-2-1-9(4-11(10)13)14-5-7-3-8(7)6-14/h1-2,4,7-8H,3,5-6,12-13H2.
What are the key properties of 4-(3-azabicyclo[3.1.0]hexan-3-yl)benzene-1,2-diamine?
4-(3-azabicyclo[3.1.0]hexan-3-yl)benzene-1,2-diamine has a molecular weight of 189.26 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-azabicyclo[3.1.0]hexan-3-yl)benzene-1,2-diamine is sourced from PubChem (CID 131071375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).