N-(2,2-dimethylpropyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine;hydrochloride

C11H24ClF3N2 — CID 115607183

IUPACN-(2,2-dimethylpropyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine;hydrochloride
SMILESCN(CCCNCC(C)(C)C)CC(F)(F)F.Cl
InChIInChI=1S/C11H23F3N2.ClH/c1-10(2,3)8-15-6-5-7-16(4)9-11(12,13)14;/h15H,5-9H2,1-4H3;1H
InChIKeyOOPTULLSZAOLFL-UHFFFAOYSA-N
MW276.77 g/mol
LogP2.93
Rot. Bonds6

About N-(2,2-dimethylpropyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine;hydrochloride

N-(2,2-dimethylpropyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine;hydrochloride (PubChem CID 115607183) has the molecular formula C11H24ClF3N2 and a molecular weight of 276.77 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine;hydrochloride.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine;hydrochloride
PubChem CID115607183
Molecular FormulaC11H24ClF3N2
Molecular Weight276.77 g/mol
Exact Mass276.16
IUPAC NameN-(2,2-dimethylpropyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine;hydrochloride
SMILESCN(CCCNCC(C)(C)C)CC(F)(F)F.Cl
InChIInChI=1S/C11H23F3N2.ClH/c1-10(2,3)8-15-6-5-7-16(4)9-11(12,13)14;/h15H,5-9H2,1-4H3;1H
InChIKeyOOPTULLSZAOLFL-UHFFFAOYSA-N
XLogP2.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 52.93
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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Related Compounds

N-(2,2-dimethylpropyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 115622503
N-ethyl-N'-methyl-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine
CID 62427958
N-(1H-imidazol-2-ylmethyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 119111479
N-(2,2-dimethylpropyl)-N,6-dimethylhept-4-en-1-amine;N-(2,2-dimethylpropyl)-6-methylhept-4-en-1-amine
CID 162282257
N'-methyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 119108037
N-(1-cyclopropylethyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 115676398
N-methyl-N',N'-bis[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 140748013
6-(2,2-dimethylpropylamino)hexan-1-ol
CID 115909001
2-methyl-1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-pentylguanidine
CID 111128687
2,2-dimethyl-6-[methyl(2,2,2-trifluoroethyl)amino]hexanenitrile
CID 106709854
N'-methyl-N-phenyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 60892732
N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclobutanecarboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine;hydrochloride?
The IUPAC name of N-(2,2-dimethylpropyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine;hydrochloride (CID 115607183) is N-(2,2-dimethylpropyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine;hydrochloride.
What is the SMILES notation for N-(2,2-dimethylpropyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine;hydrochloride?
The canonical SMILES for N-(2,2-dimethylpropyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine;hydrochloride is CN(CCCNCC(C)(C)C)CC(F)(F)F.Cl.
What is the InChIKey of N-(2,2-dimethylpropyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine;hydrochloride?
The InChIKey is OOPTULLSZAOLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2.ClH/c1-10(2,3)8-15-6-5-7-16(4)9-11(12,13)14;/h15H,5-9H2,1-4H3;1H.
What are the key properties of N-(2,2-dimethylpropyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine;hydrochloride?
N-(2,2-dimethylpropyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine;hydrochloride has a molecular weight of 276.77 g/mol, XLogP of 2.93, 6 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)propane-1,3-diamine;hydrochloride is sourced from PubChem (CID 115607183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).