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

C10H21F3N2 — CID 115622503

IUPACN-(2,2-dimethylpropyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCN(CCNCC(C)(C)C)CC(F)(F)F
InChIInChI=1S/C10H21F3N2/c1-9(2,3)7-14-5-6-15(4)8-10(11,12)13/h14H,5-8H2,1-4H3
InChIKeyQZMVVPYZVHRVHG-UHFFFAOYSA-N
MW226.29 g/mol
LogP2.12
Rot. Bonds5

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

N-(2,2-dimethylpropyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 115622503) has the molecular formula C10H21F3N2 and a molecular weight of 226.29 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID115622503
Molecular FormulaC10H21F3N2
Molecular Weight226.29 g/mol
Exact Mass226.17
IUPAC NameN-(2,2-dimethylpropyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCN(CCNCC(C)(C)C)CC(F)(F)F
InChIInChI=1S/C10H21F3N2/c1-9(2,3)7-14-5-6-15(4)8-10(11,12)13/h14H,5-8H2,1-4H3
InChIKeyQZMVVPYZVHRVHG-UHFFFAOYSA-N
XLogP2.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 52.12
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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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N-(2,2-dimethylpropyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 115622503) is N-(2,2-dimethylpropyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N-(2,2-dimethylpropyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CN(CCNCC(C)(C)C)CC(F)(F)F.
What is the InChIKey of N-(2,2-dimethylpropyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is QZMVVPYZVHRVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2/c1-9(2,3)7-14-5-6-15(4)8-10(11,12)13/h14H,5-8H2,1-4H3.
What are the key properties of N-(2,2-dimethylpropyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N-(2,2-dimethylpropyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 226.29 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 115622503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).