2-N-propyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine

C10H21F3N2 — CID 78974653

IUPAC2-N-propyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
SMILESCCCC(CN)N(CCC)CC(F)(F)F
InChIInChI=1S/C10H21F3N2/c1-3-5-9(7-14)15(6-4-2)8-10(11,12)13/h9H,3-8,14H2,1-2H3
InChIKeyYIMILBUOSAJGLG-UHFFFAOYSA-N
MW226.29 g/mol
LogP2.39
Rot. Bonds7

About 2-N-propyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine

2-N-propyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine (PubChem CID 78974653) has the molecular formula C10H21F3N2 and a molecular weight of 226.29 g/mol. Its IUPAC name is 2-N-propyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine.

Molecular Properties

Compound Name2-N-propyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
PubChem CID78974653
Molecular FormulaC10H21F3N2
Molecular Weight226.29 g/mol
Exact Mass226.17
IUPAC Name2-N-propyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
SMILESCCCC(CN)N(CCC)CC(F)(F)F
InChIInChI=1S/C10H21F3N2/c1-3-5-9(7-14)15(6-4-2)8-10(11,12)13/h9H,3-8,14H2,1-2H3
InChIKeyYIMILBUOSAJGLG-UHFFFAOYSA-N
XLogP2.39
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-ethyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
CID 78974638
2-N-ethyl-2-N-(2,2,2-trifluoroethyl)heptane-1,2-diamine
CID 114998355
3-methyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
CID 114998356
2-N,2-N-dibutylpentane-1,2-diamine
CID 43125906
2-N,2-N-bis(3-methylbutyl)pentane-1,2-diamine
CID 114011109
N'-butan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494664
2-[1-aminopentan-3-yl(2,2,2-trifluoroethyl)amino]ethanol
CID 107478931
1-N-(2-methylpropyl)-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62428626
4-ethylsulfanyl-2-N,2-N-dipropylbutane-1,2-diamine
CID 116503935
2-N-(cyclopropylmethyl)-2-N-propylhexane-1,2-diamine
CID 61440618
N'-ethyl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 65233130
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pentan-3-amine
CID 80691309

Frequently Asked Questions

What is the IUPAC name of 2-N-propyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine?
The IUPAC name of 2-N-propyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine (CID 78974653) is 2-N-propyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine.
What is the SMILES notation for 2-N-propyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine?
The canonical SMILES for 2-N-propyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine is CCCC(CN)N(CCC)CC(F)(F)F.
What is the InChIKey of 2-N-propyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine?
The InChIKey is YIMILBUOSAJGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2/c1-3-5-9(7-14)15(6-4-2)8-10(11,12)13/h9H,3-8,14H2,1-2H3.
What are the key properties of 2-N-propyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine?
2-N-propyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine has a molecular weight of 226.29 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-propyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine is sourced from PubChem (CID 78974653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).