1-N-methyl-1-N-(4-propylphenyl)cyclopentane-1,2-diamine

C15H24N2 — CID 115117233

IUPAC1-N-methyl-1-N-(4-propylphenyl)cyclopentane-1,2-diamine
SMILESCCCc1ccc(N(C)C2CCCC2N)cc1
InChIInChI=1S/C15H24N2/c1-3-5-12-8-10-13(11-9-12)17(2)15-7-4-6-14(15)16/h8-11,14-15H,3-7,16H2,1-2H3
InChIKeyIGQPMNZIXCRAST-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.96
Rot. Bonds4

About 1-N-methyl-1-N-(4-propylphenyl)cyclopentane-1,2-diamine

1-N-methyl-1-N-(4-propylphenyl)cyclopentane-1,2-diamine (PubChem CID 115117233) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-N-methyl-1-N-(4-propylphenyl)cyclopentane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-(4-propylphenyl)cyclopentane-1,2-diamine
PubChem CID115117233
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-N-methyl-1-N-(4-propylphenyl)cyclopentane-1,2-diamine
SMILESCCCc1ccc(N(C)C2CCCC2N)cc1
InChIInChI=1S/C15H24N2/c1-3-5-12-8-10-13(11-9-12)17(2)15-7-4-6-14(15)16/h8-11,14-15H,3-7,16H2,1-2H3
InChIKeyIGQPMNZIXCRAST-UHFFFAOYSA-N
XLogP2.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminocyclohexyl)-N-methyl-4-propylbenzenesulfonamide
CID 102639359
1-N-(4-tert-butylphenyl)-1-N-methylcyclopentane-1,2-diamine
CID 115117215
2-N-[2-(4-ethylphenyl)ethyl]-2-N-methylcyclohexane-1,2-diamine
CID 115118118
1-N-methyl-1-N-(4-phenylphenyl)cyclopentane-1,2-diamine
CID 115117252
1-N-methyl-1-N-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentane-1,2-diamine
CID 115117218
1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopentane-1,2-diamine
CID 60912856
1-N-[(4-fluorophenyl)methyl]-1-N-methylcyclopentane-1,2-diamine
CID 61413397
1-N-butyl-1-N-methylcyclopentane-1,2-diamine
CID 43184025
1-N-[2-(3,4-dimethylphenyl)ethyl]-1-N-methylcyclopentane-1,2-diamine
CID 115117654
2-N-[2-(4-methoxyphenyl)ethyl]-2-N-methylcyclohexane-1,2-diamine
CID 102639912
1-N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-N-methylcyclopentane-1,2-diamine
CID 115117484
N-methyl-N-(4-propylphenyl)pyrrolidin-3-amine
CID 115118684

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-(4-propylphenyl)cyclopentane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-N-(4-propylphenyl)cyclopentane-1,2-diamine (CID 115117233) is 1-N-methyl-1-N-(4-propylphenyl)cyclopentane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-N-(4-propylphenyl)cyclopentane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-N-(4-propylphenyl)cyclopentane-1,2-diamine is CCCc1ccc(N(C)C2CCCC2N)cc1.
What is the InChIKey of 1-N-methyl-1-N-(4-propylphenyl)cyclopentane-1,2-diamine?
The InChIKey is IGQPMNZIXCRAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-5-12-8-10-13(11-9-12)17(2)15-7-4-6-14(15)16/h8-11,14-15H,3-7,16H2,1-2H3.
What are the key properties of 1-N-methyl-1-N-(4-propylphenyl)cyclopentane-1,2-diamine?
1-N-methyl-1-N-(4-propylphenyl)cyclopentane-1,2-diamine has a molecular weight of 232.37 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-(4-propylphenyl)cyclopentane-1,2-diamine is sourced from PubChem (CID 115117233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).