N'-cyclobutyl-N'-[[4-(trifluoromethyl)phenyl]methyl]propane-1,3-diamine

C15H21F3N2 — CID 102875025

IUPACN'-cyclobutyl-N'-[[4-(trifluoromethyl)phenyl]methyl]propane-1,3-diamine
SMILESNCCCN(Cc1ccc(C(F)(F)F)cc1)C1CCC1
InChIInChI=1S/C15H21F3N2/c16-15(17,18)13-7-5-12(6-8-13)11-20(10-2-9-19)14-3-1-4-14/h5-8,14H,1-4,9-11,19H2
InChIKeyGDZPFEZMJXKAQR-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.41
Rot. Bonds6

About N'-cyclobutyl-N'-[[4-(trifluoromethyl)phenyl]methyl]propane-1,3-diamine

N'-cyclobutyl-N'-[[4-(trifluoromethyl)phenyl]methyl]propane-1,3-diamine (PubChem CID 102875025) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N'-cyclobutyl-N'-[[4-(trifluoromethyl)phenyl]methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclobutyl-N'-[[4-(trifluoromethyl)phenyl]methyl]propane-1,3-diamine
PubChem CID102875025
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC NameN'-cyclobutyl-N'-[[4-(trifluoromethyl)phenyl]methyl]propane-1,3-diamine
SMILESNCCCN(Cc1ccc(C(F)(F)F)cc1)C1CCC1
InChIInChI=1S/C15H21F3N2/c16-15(17,18)13-7-5-12(6-8-13)11-20(10-2-9-19)14-3-1-4-14/h5-8,14H,1-4,9-11,19H2
InChIKeyGDZPFEZMJXKAQR-UHFFFAOYSA-N
XLogP3.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N'-cyclobutyl-N'-[[4-(trifluoromethyl)phenyl]methyl]propane-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

N'-cyclohexyl-N'-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
CID 63761871
N'-cyclobutyl-N'-[[3-(trifluoromethyl)phenyl]methyl]propane-1,3-diamine
CID 102875051
N'-[(4-tert-butylphenyl)methyl]-N'-cyclopropylethane-1,2-diamine
CID 39349485
N'-cyclopropyl-N'-[(4-fluorophenyl)methyl]butane-1,4-diamine
CID 59862645
N'-[(4-bromophenyl)methyl]-N'-cyclohexylethane-1,2-diamine
CID 39449548
N'-cyclopropyl-N'-[(3-fluorophenyl)methyl]propane-1,3-diamine
CID 43137498
N'-cyclobutyl-N'-[(3,4-dimethylphenyl)methyl]ethane-1,2-diamine
CID 102875205
N'-benzyl-N'-(1,1-dioxothian-4-yl)propane-1,3-diamine
CID 107365146
N'-cyclohexyl-N'-[(3-methoxyphenyl)methyl]propane-1,3-diamine
CID 43137618
N'-cyclohexyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 62127404
2-[[4-(aminomethyl)phenyl]methyl-cyclohexylamino]ethanol
CID 54993281
4-[3-aminopropyl(benzyl)amino]azepan-2-one
CID 107367035

Frequently Asked Questions

What is the IUPAC name of N'-cyclobutyl-N'-[[4-(trifluoromethyl)phenyl]methyl]propane-1,3-diamine?
The IUPAC name of N'-cyclobutyl-N'-[[4-(trifluoromethyl)phenyl]methyl]propane-1,3-diamine (CID 102875025) is N'-cyclobutyl-N'-[[4-(trifluoromethyl)phenyl]methyl]propane-1,3-diamine.
What is the SMILES notation for N'-cyclobutyl-N'-[[4-(trifluoromethyl)phenyl]methyl]propane-1,3-diamine?
The canonical SMILES for N'-cyclobutyl-N'-[[4-(trifluoromethyl)phenyl]methyl]propane-1,3-diamine is NCCCN(Cc1ccc(C(F)(F)F)cc1)C1CCC1.
What is the InChIKey of N'-cyclobutyl-N'-[[4-(trifluoromethyl)phenyl]methyl]propane-1,3-diamine?
The InChIKey is GDZPFEZMJXKAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2/c16-15(17,18)13-7-5-12(6-8-13)11-20(10-2-9-19)14-3-1-4-14/h5-8,14H,1-4,9-11,19H2.
What are the key properties of N'-cyclobutyl-N'-[[4-(trifluoromethyl)phenyl]methyl]propane-1,3-diamine?
N'-cyclobutyl-N'-[[4-(trifluoromethyl)phenyl]methyl]propane-1,3-diamine has a molecular weight of 286.34 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclobutyl-N'-[[4-(trifluoromethyl)phenyl]methyl]propane-1,3-diamine is sourced from PubChem (CID 102875025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).