N'-methyl-N-pentan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C10H21F3N2 — CID 62559719

IUPACN'-methyl-N-pentan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCCC(C)NCCN(C)CC(F)(F)F
InChIInChI=1S/C10H21F3N2/c1-4-5-9(2)14-6-7-15(3)8-10(11,12)13/h9,14H,4-8H2,1-3H3
InChIKeyKVENQISINFDIJX-UHFFFAOYSA-N
MW226.29 g/mol
LogP2.26
Rot. Bonds7

About N'-methyl-N-pentan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N'-methyl-N-pentan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 62559719) has the molecular formula C10H21F3N2 and a molecular weight of 226.29 g/mol. Its IUPAC name is N'-methyl-N-pentan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N-pentan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID62559719
Molecular FormulaC10H21F3N2
Molecular Weight226.29 g/mol
Exact Mass226.17
IUPAC NameN'-methyl-N-pentan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCCC(C)NCCN(C)CC(F)(F)F
InChIInChI=1S/C10H21F3N2/c1-4-5-9(2)14-6-7-15(3)8-10(11,12)13/h9,14H,4-8H2,1-3H3
InChIKeyKVENQISINFDIJX-UHFFFAOYSA-N
XLogP2.26
TPSA15.27 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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-pentan-2-yl-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62554816
N-(1-ethoxypropan-2-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 115718789
N-(1-methoxypropan-2-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62559356
N'-(cyclopropylmethyl)-N'-methyl-N-pentan-2-ylethane-1,2-diamine
CID 62561272
2-N-cyclopropyl-1-N-pentan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62568495
N',N'-dimethyl-N-pentan-2-ylheptane-1,7-diamine
CID 115712733
N-heptan-2-yl-N'-methyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62560190
N'-methyl-N-(1-thiophen-2-ylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62561217
1-butyl-2-methyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine;hydroiodide
CID 111835244
N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]pentan-2-amine
CID 102723313
N',N'-bis(2-methoxyethyl)-N-pentan-2-ylethane-1,2-diamine
CID 62560843
N-(2,2-dimethylpropyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 115622503

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-pentan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N-pentan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 62559719) is N'-methyl-N-pentan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N-pentan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N-pentan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CCCC(C)NCCN(C)CC(F)(F)F.
What is the InChIKey of N'-methyl-N-pentan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is KVENQISINFDIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2/c1-4-5-9(2)14-6-7-15(3)8-10(11,12)13/h9,14H,4-8H2,1-3H3.
What are the key properties of N'-methyl-N-pentan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-methyl-N-pentan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 226.29 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-pentan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 62559719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).