2-methyl-1-N-(3-methylcyclopentyl)benzene-1,4-diamine

C13H20N2 — CID 114543163

IUPAC2-methyl-1-N-(3-methylcyclopentyl)benzene-1,4-diamine
SMILESCc1cc(N)ccc1NC1CCC(C)C1
InChIInChI=1S/C13H20N2/c1-9-3-5-12(7-9)15-13-6-4-11(14)8-10(13)2/h4,6,8-9,12,15H,3,5,7,14H2,1-2H3
InChIKeyYNIMLCHIJAVHAW-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.18
Rot. Bonds2

About 2-methyl-1-N-(3-methylcyclopentyl)benzene-1,4-diamine

2-methyl-1-N-(3-methylcyclopentyl)benzene-1,4-diamine (PubChem CID 114543163) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 2-methyl-1-N-(3-methylcyclopentyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-methyl-1-N-(3-methylcyclopentyl)benzene-1,4-diamine
PubChem CID114543163
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name2-methyl-1-N-(3-methylcyclopentyl)benzene-1,4-diamine
SMILESCc1cc(N)ccc1NC1CCC(C)C1
InChIInChI=1S/C13H20N2/c1-9-3-5-12(7-9)15-13-6-4-11(14)8-10(13)2/h4,6,8-9,12,15H,3,5,7,14H2,1-2H3
InChIKeyYNIMLCHIJAVHAW-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
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-methyl-1-N-(3-methylcyclopentyl)benzene-1,4-diamine?
The IUPAC name of 2-methyl-1-N-(3-methylcyclopentyl)benzene-1,4-diamine (CID 114543163) is 2-methyl-1-N-(3-methylcyclopentyl)benzene-1,4-diamine.
What is the SMILES notation for 2-methyl-1-N-(3-methylcyclopentyl)benzene-1,4-diamine?
The canonical SMILES for 2-methyl-1-N-(3-methylcyclopentyl)benzene-1,4-diamine is Cc1cc(N)ccc1NC1CCC(C)C1.
What is the InChIKey of 2-methyl-1-N-(3-methylcyclopentyl)benzene-1,4-diamine?
The InChIKey is YNIMLCHIJAVHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-9-3-5-12(7-9)15-13-6-4-11(14)8-10(13)2/h4,6,8-9,12,15H,3,5,7,14H2,1-2H3.
What are the key properties of 2-methyl-1-N-(3-methylcyclopentyl)benzene-1,4-diamine?
2-methyl-1-N-(3-methylcyclopentyl)benzene-1,4-diamine has a molecular weight of 204.32 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-N-(3-methylcyclopentyl)benzene-1,4-diamine is sourced from PubChem (CID 114543163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).