N-(1-cyclopropylethyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine

C11H21F3N2 — CID 115676398

IUPACN-(1-cyclopropylethyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCC(NCCCN(C)CC(F)(F)F)C1CC1
InChIInChI=1S/C11H21F3N2/c1-9(10-4-5-10)15-6-3-7-16(2)8-11(12,13)14/h9-10,15H,3-8H2,1-2H3
InChIKeyHTBIESHFOXSWHC-UHFFFAOYSA-N
MW238.30 g/mol
LogP2.26
Rot. Bonds7

About N-(1-cyclopropylethyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine

N-(1-cyclopropylethyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (PubChem CID 115676398) has the molecular formula C11H21F3N2 and a molecular weight of 238.30 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
PubChem CID115676398
Molecular FormulaC11H21F3N2
Molecular Weight238.30 g/mol
Exact Mass238.17
IUPAC NameN-(1-cyclopropylethyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCC(NCCCN(C)CC(F)(F)F)C1CC1
InChIInChI=1S/C11H21F3N2/c1-9(10-4-5-10)15-6-3-7-16(2)8-11(12,13)14/h9-10,15H,3-8H2,1-2H3
InChIKeyHTBIESHFOXSWHC-UHFFFAOYSA-N
XLogP2.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(1-cyclopropylethyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)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'-cyclopropyl-N-(1-cyclopropylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62555483
N-(1-cyclopropylethyl)-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine
CID 62557230
N-(1-cyclopropylethyl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 43192316
N-(1-cyclopropylethyl)-N'-(2,2-difluorobutyl)-N'-ethylethane-1,2-diamine
CID 131969265
N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclobutanecarboxamide
CID 51080880
N',N'-diethyl-N-[1-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine
CID 43307899
N-(1-cyclopropylethyl)dodecan-1-amine
CID 55195999
N-[(1S)-1-cyclohexylethyl]-3,3,3-trifluoropropan-1-amine
CID 81384504
3-cyclohexyl-N-(1-cyclopropylethyl)propan-1-amine
CID 115676362
2-(cyclopropylamino)-2-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentan-1-ol
CID 64826457
N-(1-cyclopentylethyl)-3-fluoropropan-1-amine
CID 81106948
3-(1-cyclobutylethylamino)propan-1-ol
CID 115705210

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The IUPAC name of N-(1-cyclopropylethyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (CID 115676398) is N-(1-cyclopropylethyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.
What is the SMILES notation for N-(1-cyclopropylethyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The canonical SMILES for N-(1-cyclopropylethyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is CC(NCCCN(C)CC(F)(F)F)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The InChIKey is HTBIESHFOXSWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2/c1-9(10-4-5-10)15-6-3-7-16(2)8-11(12,13)14/h9-10,15H,3-8H2,1-2H3.
What are the key properties of N-(1-cyclopropylethyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
N-(1-cyclopropylethyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine has a molecular weight of 238.30 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is sourced from PubChem (CID 115676398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).