N-cyclopentyl-N'-(2-fluorophenyl)-N'-methylpropane-1,3-diamine

C15H23FN2 — CID 55071126

IUPACN-cyclopentyl-N'-(2-fluorophenyl)-N'-methylpropane-1,3-diamine
SMILESCN(CCCNC1CCCC1)c1ccccc1F
InChIInChI=1S/C15H23FN2/c1-18(15-10-5-4-9-14(15)16)12-6-11-17-13-7-2-3-8-13/h4-5,9-10,13,17H,2-3,6-8,11-12H2,1H3
InChIKeyKSMUWEIXIVYAEM-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.18
Rot. Bonds6

About N-cyclopentyl-N'-(2-fluorophenyl)-N'-methylpropane-1,3-diamine

N-cyclopentyl-N'-(2-fluorophenyl)-N'-methylpropane-1,3-diamine (PubChem CID 55071126) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is N-cyclopentyl-N'-(2-fluorophenyl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopentyl-N'-(2-fluorophenyl)-N'-methylpropane-1,3-diamine
PubChem CID55071126
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC NameN-cyclopentyl-N'-(2-fluorophenyl)-N'-methylpropane-1,3-diamine
SMILESCN(CCCNC1CCCC1)c1ccccc1F
InChIInChI=1S/C15H23FN2/c1-18(15-10-5-4-9-14(15)16)12-6-11-17-13-7-2-3-8-13/h4-5,9-10,13,17H,2-3,6-8,11-12H2,1H3
InChIKeyKSMUWEIXIVYAEM-UHFFFAOYSA-N
XLogP3.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-cyclopentyl-N'-(2-fluorophenyl)-N'-methylpropane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopentyl-3-[3-(2-fluoro-N-methylanilino)propyl]urea
CID 60544274
N-cyclopentyl-N'-(2-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 62562030
8-[3-(2-fluoro-N-methylanilino)propylamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 131961894
N-[3-(2-fluoro-N-methylanilino)propyl]-2-methylpiperidine-1-carboxamide
CID 60547395
N-cyclopentyl-N'-(2,4-dimethylphenyl)-N'-methylpropane-1,3-diamine
CID 62563445
N-cyclohexyl-N'-methyl-N'-(4-methylphenyl)propane-1,3-diamine
CID 55087484
N-cyclopropyl-N'-[1-(2-fluorophenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 62986091
N-cyclopentyl-N'-(3,5-dimethylphenyl)-N'-methylpropane-1,3-diamine
CID 55087778
2-(cyclopropylamino)-6-(2-fluoro-N-methylanilino)-2-methylhexan-1-ol
CID 64792146
N-[[5-[(cyclopropylamino)methyl]oxolan-2-yl]methyl]-2-fluoro-N-methylaniline
CID 62434907
N-[3-(2-fluoro-N-methylanilino)propyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111428035
(2S)-N-[3-(2-fluoro-N-methylanilino)propyl]-5-oxopyrrolidine-2-carboxamide
CID 94866111

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N'-(2-fluorophenyl)-N'-methylpropane-1,3-diamine?
The IUPAC name of N-cyclopentyl-N'-(2-fluorophenyl)-N'-methylpropane-1,3-diamine (CID 55071126) is N-cyclopentyl-N'-(2-fluorophenyl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N-cyclopentyl-N'-(2-fluorophenyl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for N-cyclopentyl-N'-(2-fluorophenyl)-N'-methylpropane-1,3-diamine is CN(CCCNC1CCCC1)c1ccccc1F.
What is the InChIKey of N-cyclopentyl-N'-(2-fluorophenyl)-N'-methylpropane-1,3-diamine?
The InChIKey is KSMUWEIXIVYAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-18(15-10-5-4-9-14(15)16)12-6-11-17-13-7-2-3-8-13/h4-5,9-10,13,17H,2-3,6-8,11-12H2,1H3.
What are the key properties of N-cyclopentyl-N'-(2-fluorophenyl)-N'-methylpropane-1,3-diamine?
N-cyclopentyl-N'-(2-fluorophenyl)-N'-methylpropane-1,3-diamine has a molecular weight of 250.36 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N'-(2-fluorophenyl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 55071126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).