N'-(4-methylpentyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C10H21F3N2 — CID 107494851

IUPACN'-(4-methylpentyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCC(C)CCCN(CCN)CC(F)(F)F
InChIInChI=1S/C10H21F3N2/c1-9(2)4-3-6-15(7-5-14)8-10(11,12)13/h9H,3-8,14H2,1-2H3
InChIKeyCNAZTCAYFUTVHS-UHFFFAOYSA-N
MW226.29 g/mol
LogP2.25
Rot. Bonds7

About N'-(4-methylpentyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N'-(4-methylpentyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 107494851) has the molecular formula C10H21F3N2 and a molecular weight of 226.29 g/mol. Its IUPAC name is N'-(4-methylpentyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-methylpentyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID107494851
Molecular FormulaC10H21F3N2
Molecular Weight226.29 g/mol
Exact Mass226.17
IUPAC NameN'-(4-methylpentyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCC(C)CCCN(CCN)CC(F)(F)F
InChIInChI=1S/C10H21F3N2/c1-9(2)4-3-6-15(7-5-14)8-10(11,12)13/h9H,3-8,14H2,1-2H3
InChIKeyCNAZTCAYFUTVHS-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-(4-methylpentyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-(4-methylpentyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 107494851) is N'-(4-methylpentyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(4-methylpentyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(4-methylpentyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CC(C)CCCN(CCN)CC(F)(F)F.
What is the InChIKey of N'-(4-methylpentyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is CNAZTCAYFUTVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2/c1-9(2)4-3-6-15(7-5-14)8-10(11,12)13/h9H,3-8,14H2,1-2H3.
What are the key properties of N'-(4-methylpentyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-(4-methylpentyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 226.29 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylpentyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 107494851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).