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

C15H21F3N2 — CID 102875051

IUPACN'-cyclobutyl-N'-[[3-(trifluoromethyl)phenyl]methyl]propane-1,3-diamine
SMILESNCCCN(Cc1cccc(C(F)(F)F)c1)C1CCC1
InChIInChI=1S/C15H21F3N2/c16-15(17,18)13-5-1-4-12(10-13)11-20(9-3-8-19)14-6-2-7-14/h1,4-5,10,14H,2-3,6-9,11,19H2
InChIKeyALIBNBYUYNBDLO-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.41
Rot. Bonds6

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

N'-cyclobutyl-N'-[[3-(trifluoromethyl)phenyl]methyl]propane-1,3-diamine (PubChem CID 102875051) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N'-cyclobutyl-N'-[[3-(trifluoromethyl)phenyl]methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclobutyl-N'-[[3-(trifluoromethyl)phenyl]methyl]propane-1,3-diamine
PubChem CID102875051
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC NameN'-cyclobutyl-N'-[[3-(trifluoromethyl)phenyl]methyl]propane-1,3-diamine
SMILESNCCCN(Cc1cccc(C(F)(F)F)c1)C1CCC1
InChIInChI=1S/C15H21F3N2/c16-15(17,18)13-5-1-4-12(10-13)11-20(9-3-8-19)14-6-2-7-14/h1,4-5,10,14H,2-3,6-9,11,19H2
InChIKeyALIBNBYUYNBDLO-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

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Related Compounds

N'-cyclobutyl-N'-[[4-(trifluoromethyl)phenyl]methyl]propane-1,3-diamine
CID 102875025
N-(2-bromoethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropanamine
CID 80666990
N'-cyclopropyl-N'-[(3-fluorophenyl)methyl]propane-1,3-diamine
CID 43137498
N'-cyclohexyl-N'-[(3-methoxyphenyl)methyl]propane-1,3-diamine
CID 43137618
N'-[(3-chlorophenyl)methyl]-N'-cyclopentylethane-1,2-diamine
CID 39356192
3-[cyclohexyl-[[3-(trifluoromethyl)phenyl]methyl]amino]-1,1,1-trifluoropropan-2-ol
CID 10177110
N'-cyclohexyl-N'-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
CID 63761871
4-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 119297081
N'-cycloheptyl-N'-[(3-ethoxyphenyl)methyl]ethane-1,2-diamine
CID 39396373
N'-cyclobutyl-N'-[(3,4-dimethylphenyl)methyl]ethane-1,2-diamine
CID 102875205
2-methyl-1-[piperidin-4-yl-[[3-(trifluoromethyl)phenyl]methyl]amino]propan-2-ol
CID 135384501
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 63642278

Frequently Asked Questions

What is the IUPAC name of N'-cyclobutyl-N'-[[3-(trifluoromethyl)phenyl]methyl]propane-1,3-diamine?
The IUPAC name of N'-cyclobutyl-N'-[[3-(trifluoromethyl)phenyl]methyl]propane-1,3-diamine (CID 102875051) is N'-cyclobutyl-N'-[[3-(trifluoromethyl)phenyl]methyl]propane-1,3-diamine.
What is the SMILES notation for N'-cyclobutyl-N'-[[3-(trifluoromethyl)phenyl]methyl]propane-1,3-diamine?
The canonical SMILES for N'-cyclobutyl-N'-[[3-(trifluoromethyl)phenyl]methyl]propane-1,3-diamine is NCCCN(Cc1cccc(C(F)(F)F)c1)C1CCC1.
What is the InChIKey of N'-cyclobutyl-N'-[[3-(trifluoromethyl)phenyl]methyl]propane-1,3-diamine?
The InChIKey is ALIBNBYUYNBDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2/c16-15(17,18)13-5-1-4-12(10-13)11-20(9-3-8-19)14-6-2-7-14/h1,4-5,10,14H,2-3,6-9,11,19H2.
What are the key properties of N'-cyclobutyl-N'-[[3-(trifluoromethyl)phenyl]methyl]propane-1,3-diamine?
N'-cyclobutyl-N'-[[3-(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'-[[3-(trifluoromethyl)phenyl]methyl]propane-1,3-diamine is sourced from PubChem (CID 102875051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).