3-N-(2,4-dimethylphenyl)cyclopentane-1,3-diamine

C13H20N2 — CID 79462336

IUPAC3-N-(2,4-dimethylphenyl)cyclopentane-1,3-diamine
SMILESCc1ccc(NC2CCC(N)C2)c(C)c1
InChIInChI=1S/C13H20N2/c1-9-3-6-13(10(2)7-9)15-12-5-4-11(14)8-12/h3,6-7,11-12,15H,4-5,8,14H2,1-2H3
InChIKeyPVLNXPZNOBCSAI-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.60
Rot. Bonds2

About 3-N-(2,4-dimethylphenyl)cyclopentane-1,3-diamine

3-N-(2,4-dimethylphenyl)cyclopentane-1,3-diamine (PubChem CID 79462336) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 3-N-(2,4-dimethylphenyl)cyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-(2,4-dimethylphenyl)cyclopentane-1,3-diamine
PubChem CID79462336
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name3-N-(2,4-dimethylphenyl)cyclopentane-1,3-diamine
SMILESCc1ccc(NC2CCC(N)C2)c(C)c1
InChIInChI=1S/C13H20N2/c1-9-3-6-13(10(2)7-9)15-12-5-4-11(14)8-12/h3,6-7,11-12,15H,4-5,8,14H2,1-2H3
InChIKeyPVLNXPZNOBCSAI-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-N-(2,4-dimethylphenyl)cyclopentane-1,3-diamine?
The IUPAC name of 3-N-(2,4-dimethylphenyl)cyclopentane-1,3-diamine (CID 79462336) is 3-N-(2,4-dimethylphenyl)cyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-(2,4-dimethylphenyl)cyclopentane-1,3-diamine?
The canonical SMILES for 3-N-(2,4-dimethylphenyl)cyclopentane-1,3-diamine is Cc1ccc(NC2CCC(N)C2)c(C)c1.
What is the InChIKey of 3-N-(2,4-dimethylphenyl)cyclopentane-1,3-diamine?
The InChIKey is PVLNXPZNOBCSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-9-3-6-13(10(2)7-9)15-12-5-4-11(14)8-12/h3,6-7,11-12,15H,4-5,8,14H2,1-2H3.
What are the key properties of 3-N-(2,4-dimethylphenyl)cyclopentane-1,3-diamine?
3-N-(2,4-dimethylphenyl)cyclopentane-1,3-diamine has a molecular weight of 204.32 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,4-dimethylphenyl)cyclopentane-1,3-diamine is sourced from PubChem (CID 79462336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).