N'-(2-cyclobutylphenyl)ethane-1,2-diamine

C12H18N2 — CID 114605625

IUPACN'-(2-cyclobutylphenyl)ethane-1,2-diamine
SMILESNCCNc1ccccc1C1CCC1
InChIInChI=1S/C12H18N2/c13-8-9-14-12-7-2-1-6-11(12)10-4-3-5-10/h1-2,6-7,10,14H,3-5,8-9,13H2
InChIKeyUCZYTXXFYZHVCF-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.32
Rot. Bonds4

About N'-(2-cyclobutylphenyl)ethane-1,2-diamine

N'-(2-cyclobutylphenyl)ethane-1,2-diamine (PubChem CID 114605625) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N'-(2-cyclobutylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-cyclobutylphenyl)ethane-1,2-diamine
PubChem CID114605625
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN'-(2-cyclobutylphenyl)ethane-1,2-diamine
SMILESNCCNc1ccccc1C1CCC1
InChIInChI=1S/C12H18N2/c13-8-9-14-12-7-2-1-6-11(12)10-4-3-5-10/h1-2,6-7,10,14H,3-5,8-9,13H2
InChIKeyUCZYTXXFYZHVCF-UHFFFAOYSA-N
XLogP2.32
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-(2-cyclobutylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-cyclobutylphenyl)ethane-1,2-diamine (CID 114605625) is N'-(2-cyclobutylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-cyclobutylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-cyclobutylphenyl)ethane-1,2-diamine is NCCNc1ccccc1C1CCC1.
What is the InChIKey of N'-(2-cyclobutylphenyl)ethane-1,2-diamine?
The InChIKey is UCZYTXXFYZHVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c13-8-9-14-12-7-2-1-6-11(12)10-4-3-5-10/h1-2,6-7,10,14H,3-5,8-9,13H2.
What are the key properties of N'-(2-cyclobutylphenyl)ethane-1,2-diamine?
N'-(2-cyclobutylphenyl)ethane-1,2-diamine has a molecular weight of 190.29 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyclobutylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 114605625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).