2-cyclobutylbenzene-1,4-diamine

C10H14N2 — CID 57027381

IUPAC2-cyclobutylbenzene-1,4-diamine
SMILESNc1ccc(N)c(C2CCC2)c1
InChIInChI=1S/C10H14N2/c11-8-4-5-10(12)9(6-8)7-2-1-3-7/h4-7H,1-3,11-12H2
InChIKeyDVEGRLCNPJQMEV-UHFFFAOYSA-N
MW162.24 g/mol
LogP2.12
Rot. Bonds1

About 2-cyclobutylbenzene-1,4-diamine

2-cyclobutylbenzene-1,4-diamine (PubChem CID 57027381) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 2-cyclobutylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-cyclobutylbenzene-1,4-diamine
PubChem CID57027381
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name2-cyclobutylbenzene-1,4-diamine
SMILESNc1ccc(N)c(C2CCC2)c1
InChIInChI=1S/C10H14N2/c11-8-4-5-10(12)9(6-8)7-2-1-3-7/h4-7H,1-3,11-12H2
InChIKeyDVEGRLCNPJQMEV-UHFFFAOYSA-N
XLogP2.12
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutylbenzene-1,4-diamine?
The IUPAC name of 2-cyclobutylbenzene-1,4-diamine (CID 57027381) is 2-cyclobutylbenzene-1,4-diamine.
What is the SMILES notation for 2-cyclobutylbenzene-1,4-diamine?
The canonical SMILES for 2-cyclobutylbenzene-1,4-diamine is Nc1ccc(N)c(C2CCC2)c1.
What is the InChIKey of 2-cyclobutylbenzene-1,4-diamine?
The InChIKey is DVEGRLCNPJQMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c11-8-4-5-10(12)9(6-8)7-2-1-3-7/h4-7H,1-3,11-12H2.
What are the key properties of 2-cyclobutylbenzene-1,4-diamine?
2-cyclobutylbenzene-1,4-diamine has a molecular weight of 162.24 g/mol, XLogP of 2.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylbenzene-1,4-diamine is sourced from PubChem (CID 57027381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).