3-N-(2,5-dimethylphenyl)cyclopentane-1,3-diamine

C13H20N2 — CID 79461969

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

About 3-N-(2,5-dimethylphenyl)cyclopentane-1,3-diamine

3-N-(2,5-dimethylphenyl)cyclopentane-1,3-diamine (PubChem CID 79461969) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 3-N-(2,5-dimethylphenyl)cyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-(2,5-dimethylphenyl)cyclopentane-1,3-diamine
PubChem CID79461969
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name3-N-(2,5-dimethylphenyl)cyclopentane-1,3-diamine
SMILESCc1ccc(C)c(NC2CCC(N)C2)c1
InChIInChI=1S/C13H20N2/c1-9-3-4-10(2)13(7-9)15-12-6-5-11(14)8-12/h3-4,7,11-12,15H,5-6,8,14H2,1-2H3
InChIKeyDYYZVRURHJDLHF-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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Related Compounds

3-N-(2,4-dimethylphenyl)cyclopentane-1,3-diamine
CID 79462336
3-N-(4-methylphenyl)cyclopentane-1,3-diamine
CID 79461968
3-N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopentane-1,3-diamine
CID 79461547
1-N-(5-bromo-2-methylphenyl)cyclobutane-1,3-diamine
CID 80560844
4-N-(2-methyl-5-propan-2-ylphenyl)cyclohexane-1,4-diamine
CID 115149697
3-N-(3-fluoro-4-methylphenyl)cyclopentane-1,3-diamine
CID 79462820
3-amino-N-(2,5-dimethylphenyl)cyclopentane-1-carboxamide
CID 66030675
3-[(3-aminocyclohexyl)amino]-N,4-dimethylbenzenesulfonamide
CID 79459145
1-N-(2-methyl-5-nitrophenyl)cyclohexane-1,3-diamine
CID 79458653
3-N-(2,6-difluoro-3-methylphenyl)cyclopentane-1,3-diamine
CID 82818304
N-(2,5-dimethylphenyl)-4-propylcycloheptan-1-amine
CID 65087525
1-N-(2-methoxy-5-methylphenyl)cyclobutane-1,3-diamine
CID 80559082

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,5-dimethylphenyl)cyclopentane-1,3-diamine?
The IUPAC name of 3-N-(2,5-dimethylphenyl)cyclopentane-1,3-diamine (CID 79461969) is 3-N-(2,5-dimethylphenyl)cyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-(2,5-dimethylphenyl)cyclopentane-1,3-diamine?
The canonical SMILES for 3-N-(2,5-dimethylphenyl)cyclopentane-1,3-diamine is Cc1ccc(C)c(NC2CCC(N)C2)c1.
What is the InChIKey of 3-N-(2,5-dimethylphenyl)cyclopentane-1,3-diamine?
The InChIKey is DYYZVRURHJDLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-9-3-4-10(2)13(7-9)15-12-6-5-11(14)8-12/h3-4,7,11-12,15H,5-6,8,14H2,1-2H3.
What are the key properties of 3-N-(2,5-dimethylphenyl)cyclopentane-1,3-diamine?
3-N-(2,5-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-(2,5-dimethylphenyl)cyclopentane-1,3-diamine is sourced from PubChem (CID 79461969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).