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

C7H13F3N2 — CID 103069499

IUPACN'-methyl-2-methylidene-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESC=C(CN)CN(C)CC(F)(F)F
InChIInChI=1S/C7H13F3N2/c1-6(3-11)4-12(2)5-7(8,9)10/h1,3-5,11H2,2H3
InChIKeyLSSDEPWFGVKHFR-UHFFFAOYSA-N
MW182.19 g/mol
LogP1.00
Rot. Bonds4

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

N'-methyl-2-methylidene-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (PubChem CID 103069499) has the molecular formula C7H13F3N2 and a molecular weight of 182.19 g/mol. Its IUPAC name is N'-methyl-2-methylidene-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-2-methylidene-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
PubChem CID103069499
Molecular FormulaC7H13F3N2
Molecular Weight182.19 g/mol
Exact Mass182.10
IUPAC NameN'-methyl-2-methylidene-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESC=C(CN)CN(C)CC(F)(F)F
InChIInChI=1S/C7H13F3N2/c1-6(3-11)4-12(2)5-7(8,9)10/h1,3-5,11H2,2H3
InChIKeyLSSDEPWFGVKHFR-UHFFFAOYSA-N
XLogP1.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-methyl-2-methylidene-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'-(2-aminoethyl)-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,2-diamine
CID 57486597
1-N'-(aminomethyl)-1-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,1-diamine
CID 87229748
2-methyl-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine
CID 60690630
2-methyl-N-(3,3,3-trifluoropropyl)prop-2-en-1-amine
CID 63226286
N,N'-dimethyl-2-methylidene-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 103069496
N-methyl-2-methylidene-N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 103069497
N-ethyl-N'-methyl-2-methylidene-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 103069498
N-tert-butyl-N'-methyl-2-methylidene-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 103069500
N-methyl-2-methylidene-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 103069501
N-ethyl-N'-methyl-2-methylidene-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 103070113
N-ethyl-2-methylidene-N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 103070114
N,N'-diethyl-2-methylidene-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 103070115

Frequently Asked Questions

What is the IUPAC name of N'-methyl-2-methylidene-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The IUPAC name of N'-methyl-2-methylidene-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (CID 103069499) is N'-methyl-2-methylidene-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.
What is the SMILES notation for N'-methyl-2-methylidene-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The canonical SMILES for N'-methyl-2-methylidene-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is C=C(CN)CN(C)CC(F)(F)F.
What is the InChIKey of N'-methyl-2-methylidene-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The InChIKey is LSSDEPWFGVKHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2/c1-6(3-11)4-12(2)5-7(8,9)10/h1,3-5,11H2,2H3.
What are the key properties of N'-methyl-2-methylidene-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
N'-methyl-2-methylidene-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine has a molecular weight of 182.19 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-2-methylidene-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is sourced from PubChem (CID 103069499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).