1-N-butyl-1-N-phenylcyclopentane-1,2-diamine

C15H24N2 — CID 64586745

IUPAC1-N-butyl-1-N-phenylcyclopentane-1,2-diamine
SMILESCCCCN(c1ccccc1)C1CCCC1N
InChIInChI=1S/C15H24N2/c1-2-3-12-17(13-8-5-4-6-9-13)15-11-7-10-14(15)16/h4-6,8-9,14-15H,2-3,7,10-12,16H2,1H3
InChIKeyLBLUMWIQFQBBPR-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.17
Rot. Bonds5

About 1-N-butyl-1-N-phenylcyclopentane-1,2-diamine

1-N-butyl-1-N-phenylcyclopentane-1,2-diamine (PubChem CID 64586745) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-N-butyl-1-N-phenylcyclopentane-1,2-diamine.

Molecular Properties

Compound Name1-N-butyl-1-N-phenylcyclopentane-1,2-diamine
PubChem CID64586745
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-N-butyl-1-N-phenylcyclopentane-1,2-diamine
SMILESCCCCN(c1ccccc1)C1CCCC1N
InChIInChI=1S/C15H24N2/c1-2-3-12-17(13-8-5-4-6-9-13)15-11-7-10-14(15)16/h4-6,8-9,14-15H,2-3,7,10-12,16H2,1H3
InChIKeyLBLUMWIQFQBBPR-UHFFFAOYSA-N
XLogP3.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-ethyl-2-N-phenylcyclohexane-1,2-diamine
CID 60725521
1-N-butyl-1-N-methylcyclopentane-1,2-diamine
CID 43184025
N-[(2-aminocyclohexyl)methyl]-N-butylaniline
CID 64584073
2-amino-N-butyl-N-phenylcyclopentane-1-carboxamide
CID 64850280
N-[(2-amino-1-methylcyclopentyl)methyl]-N-butylaniline
CID 82768214
1-N,3-N-dibutyl-1-N,3-N-dicyclohexylbenzene-1,3-diamine
CID 69065368
3-(N-(2-ethylcyclohexyl)anilino)propanethioamide
CID 63863592
1-N-methyl-1-N-(4-phenylphenyl)cyclopentane-1,2-diamine
CID 115117252
2-N-butyl-2-N-methyl-4-phenylcyclohexane-1,2-diamine
CID 43100966
N-[1-(aminomethyl)-2-ethylcyclohexyl]-N-butylaniline
CID 64585380
1-N-methyl-1-N-(4-propylphenyl)cyclopentane-1,2-diamine
CID 115117233
N'-butyl-1-cyclopentyl-N'-phenylethane-1,2-diamine
CID 104746537

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-1-N-phenylcyclopentane-1,2-diamine?
The IUPAC name of 1-N-butyl-1-N-phenylcyclopentane-1,2-diamine (CID 64586745) is 1-N-butyl-1-N-phenylcyclopentane-1,2-diamine.
What is the SMILES notation for 1-N-butyl-1-N-phenylcyclopentane-1,2-diamine?
The canonical SMILES for 1-N-butyl-1-N-phenylcyclopentane-1,2-diamine is CCCCN(c1ccccc1)C1CCCC1N.
What is the InChIKey of 1-N-butyl-1-N-phenylcyclopentane-1,2-diamine?
The InChIKey is LBLUMWIQFQBBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-2-3-12-17(13-8-5-4-6-9-13)15-11-7-10-14(15)16/h4-6,8-9,14-15H,2-3,7,10-12,16H2,1H3.
What are the key properties of 1-N-butyl-1-N-phenylcyclopentane-1,2-diamine?
1-N-butyl-1-N-phenylcyclopentane-1,2-diamine has a molecular weight of 232.37 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butyl-1-N-phenylcyclopentane-1,2-diamine is sourced from PubChem (CID 64586745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).