3-N-methyl-3-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine

C8H17F3N2 — CID 60892901

IUPAC3-N-methyl-3-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine
SMILESCCC(CCN)N(C)CC(F)(F)F
InChIInChI=1S/C8H17F3N2/c1-3-7(4-5-12)13(2)6-8(9,10)11/h7H,3-6,12H2,1-2H3
InChIKeyADCIWPZHYLOLKD-UHFFFAOYSA-N
MW198.23 g/mol
LogP1.61
Rot. Bonds5

About 3-N-methyl-3-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine

3-N-methyl-3-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine (PubChem CID 60892901) has the molecular formula C8H17F3N2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 3-N-methyl-3-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine.

Molecular Properties

Compound Name3-N-methyl-3-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine
PubChem CID60892901
Molecular FormulaC8H17F3N2
Molecular Weight198.23 g/mol
Exact Mass198.13
IUPAC Name3-N-methyl-3-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine
SMILESCCC(CCN)N(C)CC(F)(F)F
InChIInChI=1S/C8H17F3N2/c1-3-7(4-5-12)13(2)6-8(9,10)11/h7H,3-6,12H2,1-2H3
InChIKeyADCIWPZHYLOLKD-UHFFFAOYSA-N
XLogP1.61
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(2-aminoethyl)-3-N-methylpentane-1,3-diamine
CID 173242515
(3S)-N,5,5-trimethyl-N-(2,2,2-trifluoroethyl)hexan-3-amine
CID 166869742
2-[1-aminopentan-3-yl(2,2,2-trifluoroethyl)amino]ethanol
CID 107478931
3-[methyl(2,2,2-trifluoroethyl)amino]pentanethioamide
CID 60891383
3-N-(cyclohexylmethyl)-3-N-methylpentane-1,3-diamine
CID 61444292
N'-butan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494664
N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 64592998
3-N-ethyl-3-N-methylhexane-1,3-diamine
CID 59020922
3-N-methyl-3-N-(oxan-4-ylmethyl)pentane-1,3-diamine
CID 63726447
N'-methyl-N'-pentan-3-ylmethanediamine
CID 58780835
2,2-difluoro-N,N'-dimethyl-N'-pentan-3-ylpropane-1,3-diamine
CID 165461902
3-N,3-N-bis(2-methylpropyl)pentane-1,3-diamine
CID 43588449

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine?
The IUPAC name of 3-N-methyl-3-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine (CID 60892901) is 3-N-methyl-3-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine.
What is the SMILES notation for 3-N-methyl-3-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine?
The canonical SMILES for 3-N-methyl-3-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine is CCC(CCN)N(C)CC(F)(F)F.
What is the InChIKey of 3-N-methyl-3-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine?
The InChIKey is ADCIWPZHYLOLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N2/c1-3-7(4-5-12)13(2)6-8(9,10)11/h7H,3-6,12H2,1-2H3.
What are the key properties of 3-N-methyl-3-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine?
3-N-methyl-3-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine has a molecular weight of 198.23 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine is sourced from PubChem (CID 60892901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).