2-cyclopropyl-1-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine

C9H17F3N2 — CID 60893113

IUPAC2-cyclopropyl-1-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCN(CC(F)(F)F)CC(C)(N)C1CC1
InChIInChI=1S/C9H17F3N2/c1-8(13,7-3-4-7)5-14(2)6-9(10,11)12/h7H,3-6,13H2,1-2H3
InChIKeyILHODBCGJHSSHU-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.61
Rot. Bonds4

About 2-cyclopropyl-1-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine

2-cyclopropyl-1-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (PubChem CID 60893113) has the molecular formula C9H17F3N2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-cyclopropyl-1-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-cyclopropyl-1-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
PubChem CID60893113
Molecular FormulaC9H17F3N2
Molecular Weight210.24 g/mol
Exact Mass210.13
IUPAC Name2-cyclopropyl-1-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCN(CC(F)(F)F)CC(C)(N)C1CC1
InChIInChI=1S/C9H17F3N2/c1-8(13,7-3-4-7)5-14(2)6-9(10,11)12/h7H,3-6,13H2,1-2H3
InChIKeyILHODBCGJHSSHU-UHFFFAOYSA-N
XLogP1.61
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(4-methylpentyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494851
1-(3,3-Difluoropiperidin-1-yl)-2,4-dimethylpentan-2-amine
CID 138473303
2-Cyclopropyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine
CID 43514086
2-N-(1-cyclopropylethyl)-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine
CID 43752728
1-N,4-dimethyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
CID 60891949
1-N,2-dimethyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
CID 60892925
2-cyclopropyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 61150900
2-cyclopropyl-1-N-ethyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 61606670
1-N-cyclopropyl-4-methyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
CID 61606675
1-N-cyclopropyl-2-methyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
CID 61606768
1-N-ethyl-4-methyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
CID 61606790
2-cyclopropyl-1-N-propyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 61606821

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The IUPAC name of 2-cyclopropyl-1-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (CID 60893113) is 2-cyclopropyl-1-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.
What is the SMILES notation for 2-cyclopropyl-1-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The canonical SMILES for 2-cyclopropyl-1-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is CN(CC(F)(F)F)CC(C)(N)C1CC1.
What is the InChIKey of 2-cyclopropyl-1-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The InChIKey is ILHODBCGJHSSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2/c1-8(13,7-3-4-7)5-14(2)6-9(10,11)12/h7H,3-6,13H2,1-2H3.
What are the key properties of 2-cyclopropyl-1-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
2-cyclopropyl-1-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine has a molecular weight of 210.24 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is sourced from PubChem (CID 60893113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).