1-N-cyclopentyl-3,5-dimethylbenzene-1,2-diamine

C13H20N2 — CID 91671726

IUPAC1-N-cyclopentyl-3,5-dimethylbenzene-1,2-diamine
SMILESCc1cc(C)c(N)c(NC2CCCC2)c1
InChIInChI=1S/C13H20N2/c1-9-7-10(2)13(14)12(8-9)15-11-5-3-4-6-11/h7-8,11,15H,3-6,14H2,1-2H3
InChIKeyPATZWIPIXUJAFV-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.24
Rot. Bonds2

About 1-N-cyclopentyl-3,5-dimethylbenzene-1,2-diamine

1-N-cyclopentyl-3,5-dimethylbenzene-1,2-diamine (PubChem CID 91671726) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-N-cyclopentyl-3,5-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopentyl-3,5-dimethylbenzene-1,2-diamine
PubChem CID91671726
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-N-cyclopentyl-3,5-dimethylbenzene-1,2-diamine
SMILESCc1cc(C)c(N)c(NC2CCCC2)c1
InChIInChI=1S/C13H20N2/c1-9-7-10(2)13(14)12(8-9)15-11-5-3-4-6-11/h7-8,11,15H,3-6,14H2,1-2H3
InChIKeyPATZWIPIXUJAFV-UHFFFAOYSA-N
XLogP3.24
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.24
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 1-N-cyclopentyl-3,5-dimethylbenzene-1,2-diamine?
The IUPAC name of 1-N-cyclopentyl-3,5-dimethylbenzene-1,2-diamine (CID 91671726) is 1-N-cyclopentyl-3,5-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-cyclopentyl-3,5-dimethylbenzene-1,2-diamine?
The canonical SMILES for 1-N-cyclopentyl-3,5-dimethylbenzene-1,2-diamine is Cc1cc(C)c(N)c(NC2CCCC2)c1.
What is the InChIKey of 1-N-cyclopentyl-3,5-dimethylbenzene-1,2-diamine?
The InChIKey is PATZWIPIXUJAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-9-7-10(2)13(14)12(8-9)15-11-5-3-4-6-11/h7-8,11,15H,3-6,14H2,1-2H3.
What are the key properties of 1-N-cyclopentyl-3,5-dimethylbenzene-1,2-diamine?
1-N-cyclopentyl-3,5-dimethylbenzene-1,2-diamine has a molecular weight of 204.32 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopentyl-3,5-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 91671726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).