N'-methyl-N'-propan-2-yl-N-(3,3,3-trifluoropropyl)ethane-1,2-diamine

C9H19F3N2 — CID 64554827

IUPACN'-methyl-N'-propan-2-yl-N-(3,3,3-trifluoropropyl)ethane-1,2-diamine
SMILESCC(C)N(C)CCNCCC(F)(F)F
InChIInChI=1S/C9H19F3N2/c1-8(2)14(3)7-6-13-5-4-9(10,11)12/h8,13H,4-7H2,1-3H3
InChIKeyYUMUEMCIFRDIGM-UHFFFAOYSA-N
MW212.26 g/mol
LogP1.87
Rot. Bonds6

About N'-methyl-N'-propan-2-yl-N-(3,3,3-trifluoropropyl)ethane-1,2-diamine

N'-methyl-N'-propan-2-yl-N-(3,3,3-trifluoropropyl)ethane-1,2-diamine (PubChem CID 64554827) has the molecular formula C9H19F3N2 and a molecular weight of 212.26 g/mol. Its IUPAC name is N'-methyl-N'-propan-2-yl-N-(3,3,3-trifluoropropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-propan-2-yl-N-(3,3,3-trifluoropropyl)ethane-1,2-diamine
PubChem CID64554827
Molecular FormulaC9H19F3N2
Molecular Weight212.26 g/mol
Exact Mass212.15
IUPAC NameN'-methyl-N'-propan-2-yl-N-(3,3,3-trifluoropropyl)ethane-1,2-diamine
SMILESCC(C)N(C)CCNCCC(F)(F)F
InChIInChI=1S/C9H19F3N2/c1-8(2)14(3)7-6-13-5-4-9(10,11)12/h8,13H,4-7H2,1-3H3
InChIKeyYUMUEMCIFRDIGM-UHFFFAOYSA-N
XLogP1.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-N'-propan-2-yl-N-(3,3,3-trifluoropropyl)propane-1,3-diamine
CID 106045562
N'-methyl-N'-propan-2-yl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine
CID 106045632
N'-methyl-N'-propan-2-yl-N-(trifluoromethoxymethyl)ethane-1,2-diamine
CID 176601179
2-[2-[methyl(propan-2-yl)amino]ethylamino]ethanol
CID 62641213
N'-tert-butyl-N-[2-[methyl(propan-2-yl)amino]ethyl]ethane-1,2-diamine
CID 107445595
N-(2,2-dimethylpropyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62635072
N',N'-di(propan-2-yl)-N-(4,4,4-trifluorobutyl)ethane-1,2-diamine
CID 115513417
N'-methyl-N'-propan-2-yl-N-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 62641029
N'-methyl-N-(4-methylpentyl)-N'-propan-2-ylethane-1,2-diamine
CID 59420439
N-dodecyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 63492456
N-hexyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62573357
2-methyl-1-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol
CID 62639944

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-propan-2-yl-N-(3,3,3-trifluoropropyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-propan-2-yl-N-(3,3,3-trifluoropropyl)ethane-1,2-diamine (CID 64554827) is N'-methyl-N'-propan-2-yl-N-(3,3,3-trifluoropropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-propan-2-yl-N-(3,3,3-trifluoropropyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-propan-2-yl-N-(3,3,3-trifluoropropyl)ethane-1,2-diamine is CC(C)N(C)CCNCCC(F)(F)F.
What is the InChIKey of N'-methyl-N'-propan-2-yl-N-(3,3,3-trifluoropropyl)ethane-1,2-diamine?
The InChIKey is YUMUEMCIFRDIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2/c1-8(2)14(3)7-6-13-5-4-9(10,11)12/h8,13H,4-7H2,1-3H3.
What are the key properties of N'-methyl-N'-propan-2-yl-N-(3,3,3-trifluoropropyl)ethane-1,2-diamine?
N'-methyl-N'-propan-2-yl-N-(3,3,3-trifluoropropyl)ethane-1,2-diamine has a molecular weight of 212.26 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-propan-2-yl-N-(3,3,3-trifluoropropyl)ethane-1,2-diamine is sourced from PubChem (CID 64554827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).