N'-(cyclohexylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C11H21F3N2 — CID 107494751

IUPACN'-(cyclohexylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESNCCN(CC1CCCCC1)CC(F)(F)F
InChIInChI=1S/C11H21F3N2/c12-11(13,14)9-16(7-6-15)8-10-4-2-1-3-5-10/h10H,1-9,15H2
InChIKeyOJZAYOHJRDYKDS-UHFFFAOYSA-N
MW238.30 g/mol
LogP2.39
Rot. Bonds5

About N'-(cyclohexylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N'-(cyclohexylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 107494751) has the molecular formula C11H21F3N2 and a molecular weight of 238.30 g/mol. Its IUPAC name is N'-(cyclohexylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(cyclohexylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID107494751
Molecular FormulaC11H21F3N2
Molecular Weight238.30 g/mol
Exact Mass238.17
IUPAC NameN'-(cyclohexylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESNCCN(CC1CCCCC1)CC(F)(F)F
InChIInChI=1S/C11H21F3N2/c12-11(13,14)9-16(7-6-15)8-10-4-2-1-3-5-10/h10H,1-9,15H2
InChIKeyOJZAYOHJRDYKDS-UHFFFAOYSA-N
XLogP2.39
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloroethyl)-N-(cyclobutylmethyl)-2,2,2-trifluoroethanamine
CID 107489173
N'-(cyclopentylmethyl)-N'-methylethane-1,2-diamine
CID 55151127
3-[2-cyclopentylethyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 111461931
2-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-1-(azepan-1-yl)ethanone
CID 107494809
N-(2-cyclopentylethyl)-2,2,2-trifluoro-N-methylethanamine
CID 115258134
2-cycloheptatriacontylethanamine
CID 70967764
5-[[cyclobutylmethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine
CID 120901635
N'-(cyclohexylmethyl)-N,N,N'-triethylethane-1,2-diamine
CID 2058149
N-(cyclopentylmethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 64850426
N-ethyl-2,2,2-trifluoro-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride
CID 119930511
1-(2-aminoethyl)-3-cyclopentyl-1-(2,2,2-trifluoroethyl)urea
CID 107493788
N'-(cyclobutylmethyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120872591

Frequently Asked Questions

What is the IUPAC name of N'-(cyclohexylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-(cyclohexylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 107494751) is N'-(cyclohexylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(cyclohexylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(cyclohexylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is NCCN(CC1CCCCC1)CC(F)(F)F.
What is the InChIKey of N'-(cyclohexylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is OJZAYOHJRDYKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2/c12-11(13,14)9-16(7-6-15)8-10-4-2-1-3-5-10/h10H,1-9,15H2.
What are the key properties of N'-(cyclohexylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-(cyclohexylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 238.30 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclohexylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 107494751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).