2-N-methyl-1-N-prop-2-enyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine

C9H17F3N2 — CID 62569360

IUPAC2-N-methyl-1-N-prop-2-enyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESC=CCNCC(C)N(C)CC(F)(F)F
InChIInChI=1S/C9H17F3N2/c1-4-5-13-6-8(2)14(3)7-9(10,11)12/h4,8,13H,1,5-7H2,2-3H3
InChIKeyMASSJNRIRVWGQA-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.64
Rot. Bonds6

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

2-N-methyl-1-N-prop-2-enyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (PubChem CID 62569360) has the molecular formula C9H17F3N2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-N-methyl-1-N-prop-2-enyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-1-N-prop-2-enyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
PubChem CID62569360
Molecular FormulaC9H17F3N2
Molecular Weight210.24 g/mol
Exact Mass210.13
IUPAC Name2-N-methyl-1-N-prop-2-enyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESC=CCNCC(C)N(C)CC(F)(F)F
InChIInChI=1S/C9H17F3N2/c1-4-5-13-6-8(2)14(3)7-9(10,11)12/h4,8,13H,1,5-7H2,2-3H3
InChIKeyMASSJNRIRVWGQA-UHFFFAOYSA-N
XLogP1.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-N-(2,2-difluoroethyl)-2-N-ethyl-1-N-prop-1-en-2-ylpropane-1,2-diamine
CID 142366002
1-(3-fluoropropyl)-N-prop-2-enylazetidin-3-amine
CID 145102324
1,1-difluoro-N'-methyl-N-prop-2-enylethane-1,2-diamine
CID 156464927
N'-cyclopropyl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62554000
N'-propan-2-yl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62555312
N-prop-2-enyl-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62555486
N'-ethyl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62555964
N-prop-2-enyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine
CID 62556969
N'-methyl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62560286
2-N-propan-2-yl-1-N-prop-2-enyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62568662
2-N-ethyl-1-N-prop-2-enyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62569764
1-N-prop-2-enyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62569960

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-1-N-prop-2-enyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The IUPAC name of 2-N-methyl-1-N-prop-2-enyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (CID 62569360) is 2-N-methyl-1-N-prop-2-enyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-1-N-prop-2-enyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-methyl-1-N-prop-2-enyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is C=CCNCC(C)N(C)CC(F)(F)F.
What is the InChIKey of 2-N-methyl-1-N-prop-2-enyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The InChIKey is MASSJNRIRVWGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2/c1-4-5-13-6-8(2)14(3)7-9(10,11)12/h4,8,13H,1,5-7H2,2-3H3.
What are the key properties of 2-N-methyl-1-N-prop-2-enyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
2-N-methyl-1-N-prop-2-enyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine has a molecular weight of 210.24 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-1-N-prop-2-enyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is sourced from PubChem (CID 62569360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).