5-cyclopentyl-4-methylbenzene-1,3-diamine

C12H18N2 — CID 54013593

IUPAC5-cyclopentyl-4-methylbenzene-1,3-diamine
SMILESCc1c(N)cc(N)cc1C1CCCC1
InChIInChI=1S/C12H18N2/c1-8-11(9-4-2-3-5-9)6-10(13)7-12(8)14/h6-7,9H,2-5,13-14H2,1H3
InChIKeyKUBCMMZVQMYVRB-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.82
Rot. Bonds1

About 5-cyclopentyl-4-methylbenzene-1,3-diamine

5-cyclopentyl-4-methylbenzene-1,3-diamine (PubChem CID 54013593) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 5-cyclopentyl-4-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name5-cyclopentyl-4-methylbenzene-1,3-diamine
PubChem CID54013593
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name5-cyclopentyl-4-methylbenzene-1,3-diamine
SMILESCc1c(N)cc(N)cc1C1CCCC1
InChIInChI=1S/C12H18N2/c1-8-11(9-4-2-3-5-9)6-10(13)7-12(8)14/h6-7,9H,2-5,13-14H2,1H3
InChIKeyKUBCMMZVQMYVRB-UHFFFAOYSA-N
XLogP2.82
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.82
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 5-cyclopentyl-4-methylbenzene-1,3-diamine?
The IUPAC name of 5-cyclopentyl-4-methylbenzene-1,3-diamine (CID 54013593) is 5-cyclopentyl-4-methylbenzene-1,3-diamine.
What is the SMILES notation for 5-cyclopentyl-4-methylbenzene-1,3-diamine?
The canonical SMILES for 5-cyclopentyl-4-methylbenzene-1,3-diamine is Cc1c(N)cc(N)cc1C1CCCC1.
What is the InChIKey of 5-cyclopentyl-4-methylbenzene-1,3-diamine?
The InChIKey is KUBCMMZVQMYVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-8-11(9-4-2-3-5-9)6-10(13)7-12(8)14/h6-7,9H,2-5,13-14H2,1H3.
What are the key properties of 5-cyclopentyl-4-methylbenzene-1,3-diamine?
5-cyclopentyl-4-methylbenzene-1,3-diamine has a molecular weight of 190.29 g/mol, XLogP of 2.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-4-methylbenzene-1,3-diamine is sourced from PubChem (CID 54013593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).