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

C10H19F3N2 — CID 103069497

IUPACN-methyl-2-methylidene-N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESC=C(CNC(C)C)CN(C)CC(F)(F)F
InChIInChI=1S/C10H19F3N2/c1-8(2)14-5-9(3)6-15(4)7-10(11,12)13/h8,14H,3,5-7H2,1-2,4H3
InChIKeyMPDHEWSSBZUSKP-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.03
Rot. Bonds6

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

N-methyl-2-methylidene-N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine (PubChem CID 103069497) has the molecular formula C10H19F3N2 and a molecular weight of 224.27 g/mol. Its IUPAC name is N-methyl-2-methylidene-N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-methyl-2-methylidene-N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
PubChem CID103069497
Molecular FormulaC10H19F3N2
Molecular Weight224.27 g/mol
Exact Mass224.15
IUPAC NameN-methyl-2-methylidene-N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESC=C(CNC(C)C)CN(C)CC(F)(F)F
InChIInChI=1S/C10H19F3N2/c1-8(2)14-5-9(3)6-15(4)7-10(11,12)13/h8,14H,3,5-7H2,1-2,4H3
InChIKeyMPDHEWSSBZUSKP-UHFFFAOYSA-N
XLogP2.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.03
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'-propan-2-yl-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,2,2-trimethyl-N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62257913
N-(1-methoxypropan-2-yl)-N-methyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine
CID 103069854
N-methyl-2-methylidene-N-(4-methylsulfanylbutan-2-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 103071342
2-methylidene-N-(2-methylpropyl)-N-pentan-3-yl-N'-propan-2-ylpropane-1,3-diamine
CID 103070964
N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine
CID 103069640
N-butan-2-yl-N-butyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine
CID 103070057
N-(cyclopropylmethyl)-N-ethyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine
CID 103070705
N-(2-ethoxyethyl)-N-ethyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine
CID 103070650
N-ethyl-2-methylidene-N'-propan-2-yl-N-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 103069837
N-butyl-N-cyclopropyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine
CID 103069805
2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]prop-2-ene-1-thiol
CID 103073352
N-tert-butyl-N'-methyl-N'-(2-methylbutyl)-2-methylidenepropane-1,3-diamine
CID 103069309

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylidene-N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The IUPAC name of N-methyl-2-methylidene-N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine (CID 103069497) is N-methyl-2-methylidene-N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine.
What is the SMILES notation for N-methyl-2-methylidene-N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The canonical SMILES for N-methyl-2-methylidene-N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine is C=C(CNC(C)C)CN(C)CC(F)(F)F.
What is the InChIKey of N-methyl-2-methylidene-N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The InChIKey is MPDHEWSSBZUSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2/c1-8(2)14-5-9(3)6-15(4)7-10(11,12)13/h8,14H,3,5-7H2,1-2,4H3.
What are the key properties of N-methyl-2-methylidene-N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?
N-methyl-2-methylidene-N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine has a molecular weight of 224.27 g/mol, XLogP of 2.03, 6 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'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine is sourced from PubChem (CID 103069497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).