1-N-cyclopentyl-4-ethylbenzene-1,3-diamine

C13H20N2 — CID 70292757

IUPAC1-N-cyclopentyl-4-ethylbenzene-1,3-diamine
SMILESCCc1ccc(NC2CCCC2)cc1N
InChIInChI=1S/C13H20N2/c1-2-10-7-8-12(9-13(10)14)15-11-5-3-4-6-11/h7-9,11,15H,2-6,14H2,1H3
InChIKeyPVNNBWWONSIGJZ-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.19
Rot. Bonds3

About 1-N-cyclopentyl-4-ethylbenzene-1,3-diamine

1-N-cyclopentyl-4-ethylbenzene-1,3-diamine (PubChem CID 70292757) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-N-cyclopentyl-4-ethylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-cyclopentyl-4-ethylbenzene-1,3-diamine
PubChem CID70292757
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-N-cyclopentyl-4-ethylbenzene-1,3-diamine
SMILESCCc1ccc(NC2CCCC2)cc1N
InChIInChI=1S/C13H20N2/c1-2-10-7-8-12(9-13(10)14)15-11-5-3-4-6-11/h7-9,11,15H,2-6,14H2,1H3
InChIKeyPVNNBWWONSIGJZ-UHFFFAOYSA-N
XLogP3.19
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-4-ethyl-3-fluoroaniline
CID 118342641
1-N,3-N-dicyclohexyl-4-ethylbenzene-1,3-diamine
CID 91151578
4-bromo-1-N-cyclopentylbenzene-1,3-diamine
CID 82934286
4-N-cyclopentyl-2-methylbenzene-1,4-diamine
CID 43436194
4-N-cyclohexyl-2-methylbenzene-1,4-diamine
CID 43436188
1-N-cyclopentyl-4-fluorobenzene-1,3-diamine
CID 82933776
cyclopentanone;N-cyclopentyl-4-ethyl-3-fluoroaniline
CID 118342640
1-N-(2-bicyclo[2.2.1]heptanyl)-4-ethylbenzene-1,3-diamine
CID 114245694
N-(3-amino-4-ethylphenyl)cyclohexanesulfonamide
CID 61065811
1-N,3-N-dicyclohexyl-4-propylbenzene-1,3-diamine
CID 90852718
N-(3-amino-4-ethylphenyl)-2-cyclohexylacetamide
CID 43550224
N-(4-ethylphenyl)cyclododecanamine
CID 63422898

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopentyl-4-ethylbenzene-1,3-diamine?
The IUPAC name of 1-N-cyclopentyl-4-ethylbenzene-1,3-diamine (CID 70292757) is 1-N-cyclopentyl-4-ethylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-cyclopentyl-4-ethylbenzene-1,3-diamine?
The canonical SMILES for 1-N-cyclopentyl-4-ethylbenzene-1,3-diamine is CCc1ccc(NC2CCCC2)cc1N.
What is the InChIKey of 1-N-cyclopentyl-4-ethylbenzene-1,3-diamine?
The InChIKey is PVNNBWWONSIGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-2-10-7-8-12(9-13(10)14)15-11-5-3-4-6-11/h7-9,11,15H,2-6,14H2,1H3.
What are the key properties of 1-N-cyclopentyl-4-ethylbenzene-1,3-diamine?
1-N-cyclopentyl-4-ethylbenzene-1,3-diamine has a molecular weight of 204.32 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopentyl-4-ethylbenzene-1,3-diamine is sourced from PubChem (CID 70292757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).