N'-cyclopropyl-2-propan-2-yl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine

C11H21F3N2 — CID 65233366

IUPACN'-cyclopropyl-2-propan-2-yl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCC(C)C(CN)CN(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H21F3N2/c1-8(2)9(5-15)6-16(10-3-4-10)7-11(12,13)14/h8-10H,3-7,15H2,1-2H3
InChIKeyYHVJQZQSFVXOSL-UHFFFAOYSA-N
MW238.30 g/mol
LogP2.24
Rot. Bonds6

About N'-cyclopropyl-2-propan-2-yl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine

N'-cyclopropyl-2-propan-2-yl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (PubChem CID 65233366) has the molecular formula C11H21F3N2 and a molecular weight of 238.30 g/mol. Its IUPAC name is N'-cyclopropyl-2-propan-2-yl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-2-propan-2-yl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
PubChem CID65233366
Molecular FormulaC11H21F3N2
Molecular Weight238.30 g/mol
Exact Mass238.17
IUPAC NameN'-cyclopropyl-2-propan-2-yl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCC(C)C(CN)CN(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H21F3N2/c1-8(2)9(5-15)6-16(10-3-4-10)7-11(12,13)14/h8-10H,3-7,15H2,1-2H3
InChIKeyYHVJQZQSFVXOSL-UHFFFAOYSA-N
XLogP2.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-butyl-N'-cyclopropyl-2-propan-2-ylpropane-1,3-diamine
CID 65233123
N'-cyclopentyl-N'-ethyl-2-propan-2-ylpropane-1,3-diamine
CID 65228278
N'-methyl-N'-(4-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine
CID 65232760
1-N-cyclopropyl-2-N-methyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
CID 62044049
1-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4,4-dimethylpentan-3-ol
CID 62624111
1-N-cyclopropyl-2-N-propyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
CID 62044269
N'-cyclopropyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62426642
N'-cyclopropyl-N,2-dimethyl-1-phenyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62618413
4-N-propyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine
CID 62807259
N'-cyclopropyl-N-(1-cyclopropylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62555483
4-[ethyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
CID 114762519
N'-cyclopropyl-N'-propyl-2-(trifluoromethyl)propane-1,3-diamine
CID 103366118

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-2-propan-2-yl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The IUPAC name of N'-cyclopropyl-2-propan-2-yl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (CID 65233366) is N'-cyclopropyl-2-propan-2-yl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclopropyl-2-propan-2-yl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The canonical SMILES for N'-cyclopropyl-2-propan-2-yl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is CC(C)C(CN)CN(CC(F)(F)F)C1CC1.
What is the InChIKey of N'-cyclopropyl-2-propan-2-yl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The InChIKey is YHVJQZQSFVXOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2/c1-8(2)9(5-15)6-16(10-3-4-10)7-11(12,13)14/h8-10H,3-7,15H2,1-2H3.
What are the key properties of N'-cyclopropyl-2-propan-2-yl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
N'-cyclopropyl-2-propan-2-yl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine has a molecular weight of 238.30 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-2-propan-2-yl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is sourced from PubChem (CID 65233366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).