N',2,2-trimethyl-N'-(4,4,4-trifluorobutyl)propane-1,3-diamine

C10H21F3N2 — CID 115514950

IUPACN',2,2-trimethyl-N'-(4,4,4-trifluorobutyl)propane-1,3-diamine
SMILESCN(CCCC(F)(F)F)CC(C)(C)CN
InChIInChI=1S/C10H21F3N2/c1-9(2,7-14)8-15(3)6-4-5-10(11,12)13/h4-8,14H2,1-3H3
InChIKeyZVCBZRQOVJTUDC-UHFFFAOYSA-N
MW226.29 g/mol
LogP2.25
Rot. Bonds6

About N',2,2-trimethyl-N'-(4,4,4-trifluorobutyl)propane-1,3-diamine

N',2,2-trimethyl-N'-(4,4,4-trifluorobutyl)propane-1,3-diamine (PubChem CID 115514950) has the molecular formula C10H21F3N2 and a molecular weight of 226.29 g/mol. Its IUPAC name is N',2,2-trimethyl-N'-(4,4,4-trifluorobutyl)propane-1,3-diamine.

Molecular Properties

Compound NameN',2,2-trimethyl-N'-(4,4,4-trifluorobutyl)propane-1,3-diamine
PubChem CID115514950
Molecular FormulaC10H21F3N2
Molecular Weight226.29 g/mol
Exact Mass226.17
IUPAC NameN',2,2-trimethyl-N'-(4,4,4-trifluorobutyl)propane-1,3-diamine
SMILESCN(CCCC(F)(F)F)CC(C)(C)CN
InChIInChI=1S/C10H21F3N2/c1-9(2,7-14)8-15(3)6-4-5-10(11,12)13/h4-8,14H2,1-3H3
InChIKeyZVCBZRQOVJTUDC-UHFFFAOYSA-N
XLogP2.25
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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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Related Compounds

N'-(3,3-dimethylbutyl)-N',2,2-trimethylpropane-1,3-diamine
CID 79652389
N'-heptyl-N',2,2-trimethylpropane-1,3-diamine
CID 79648051
N'-decyl-N',2,2-trimethylpropane-1,3-diamine
CID 79652340
N',2,2-trimethyl-N'-(3-methylsulfanylpropyl)propane-1,3-diamine
CID 79644855
N-(3-amino-2,2-dimethylpropyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide;hydrochloride
CID 120875552
N',2,2-trimethyl-N'-propylpentane-1,5-diamine
CID 65254018
1-[(6-amino-5,5-dimethylhexyl)-methylamino]-2-methylpropan-2-ol
CID 106708171
ethane;4,4,4-trifluoro-N,N-dimethylbutan-1-amine
CID 166092761
N'-(2-methoxyethyl)-N',2,2-trimethylpentane-1,5-diamine
CID 65254418
N'-[3-(dimethylamino)propyl]-N',2,2-trimethylbutane-1,4-diamine
CID 65247113
N'-hydroxy-2,2-dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 77063985
N',2,2-trimethyl-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine
CID 79652271

Frequently Asked Questions

What is the IUPAC name of N',2,2-trimethyl-N'-(4,4,4-trifluorobutyl)propane-1,3-diamine?
The IUPAC name of N',2,2-trimethyl-N'-(4,4,4-trifluorobutyl)propane-1,3-diamine (CID 115514950) is N',2,2-trimethyl-N'-(4,4,4-trifluorobutyl)propane-1,3-diamine.
What is the SMILES notation for N',2,2-trimethyl-N'-(4,4,4-trifluorobutyl)propane-1,3-diamine?
The canonical SMILES for N',2,2-trimethyl-N'-(4,4,4-trifluorobutyl)propane-1,3-diamine is CN(CCCC(F)(F)F)CC(C)(C)CN.
What is the InChIKey of N',2,2-trimethyl-N'-(4,4,4-trifluorobutyl)propane-1,3-diamine?
The InChIKey is ZVCBZRQOVJTUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2/c1-9(2,7-14)8-15(3)6-4-5-10(11,12)13/h4-8,14H2,1-3H3.
What are the key properties of N',2,2-trimethyl-N'-(4,4,4-trifluorobutyl)propane-1,3-diamine?
N',2,2-trimethyl-N'-(4,4,4-trifluorobutyl)propane-1,3-diamine has a molecular weight of 226.29 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2-trimethyl-N'-(4,4,4-trifluorobutyl)propane-1,3-diamine is sourced from PubChem (CID 115514950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).