2-N,2-N,4-trimethyl-1-N-(6,6,6-trifluorohexan-2-yl)pentane-1,2-diamine

C14H29F3N2 — CID 116534156

IUPAC2-N,2-N,4-trimethyl-1-N-(6,6,6-trifluorohexan-2-yl)pentane-1,2-diamine
SMILESCC(C)CC(CNC(C)CCCC(F)(F)F)N(C)C
InChIInChI=1S/C14H29F3N2/c1-11(2)9-13(19(4)5)10-18-12(3)7-6-8-14(15,16)17/h11-13,18H,6-10H2,1-5H3
InChIKeyVZFDGMBCFIFBJN-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.67
Rot. Bonds9

About 2-N,2-N,4-trimethyl-1-N-(6,6,6-trifluorohexan-2-yl)pentane-1,2-diamine

2-N,2-N,4-trimethyl-1-N-(6,6,6-trifluorohexan-2-yl)pentane-1,2-diamine (PubChem CID 116534156) has the molecular formula C14H29F3N2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-N,2-N,4-trimethyl-1-N-(6,6,6-trifluorohexan-2-yl)pentane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,4-trimethyl-1-N-(6,6,6-trifluorohexan-2-yl)pentane-1,2-diamine
PubChem CID116534156
Molecular FormulaC14H29F3N2
Molecular Weight282.39 g/mol
Exact Mass282.23
IUPAC Name2-N,2-N,4-trimethyl-1-N-(6,6,6-trifluorohexan-2-yl)pentane-1,2-diamine
SMILESCC(C)CC(CNC(C)CCCC(F)(F)F)N(C)C
InChIInChI=1S/C14H29F3N2/c1-11(2)9-13(19(4)5)10-18-12(3)7-6-8-14(15,16)17/h11-13,18H,6-10H2,1-5H3
InChIKeyVZFDGMBCFIFBJN-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-N,2-N,4-trimethyl-1-N-(6,6,6-trifluorohexan-2-yl)pentane-1,2-diamine with MolForge

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Related Compounds

6,6,6-trifluoro-N-(2-methoxypropyl)hexan-2-amine
CID 102696096
6,6,6-trifluoro-N-(3,3,3-trifluoropropyl)hexan-2-amine
CID 116534777
N,N-dimethyl-1-thiophen-2-yl-N'-(6,6,6-trifluorohexan-2-yl)ethane-1,2-diamine
CID 116534134
1-N-(1-ethylsulfonylpropan-2-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 115900721
1-methoxy-3-(6,6,6-trifluorohexan-2-ylamino)propan-2-ol
CID 116534815
1-cyclopropyl-2-(6,6,6-trifluorohexan-2-ylamino)ethanol
CID 116534784
N',N'-di(propan-2-yl)-N-(6,6,6-trifluorohexan-2-yl)ethane-1,2-diamine
CID 116533966
6,6,6-trifluoro-N-(2-piperidin-1-ylpropyl)hexan-2-amine
CID 116534627
5-methyl-N-(6,6,6-trifluorohexan-2-yl)hexan-2-amine
CID 116534085
tert-butyl N-[2-[[2-(dimethylamino)-4-methylpentyl]amino]propyl]carbamate
CID 103387660
5-methyl-N-(4,4,4-trifluorobutyl)hexan-2-amine
CID 81343293
8,8,8-trifluoro-2-methyl-N-propyloctan-4-amine
CID 115516392

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-trimethyl-1-N-(6,6,6-trifluorohexan-2-yl)pentane-1,2-diamine?
The IUPAC name of 2-N,2-N,4-trimethyl-1-N-(6,6,6-trifluorohexan-2-yl)pentane-1,2-diamine (CID 116534156) is 2-N,2-N,4-trimethyl-1-N-(6,6,6-trifluorohexan-2-yl)pentane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,4-trimethyl-1-N-(6,6,6-trifluorohexan-2-yl)pentane-1,2-diamine?
The canonical SMILES for 2-N,2-N,4-trimethyl-1-N-(6,6,6-trifluorohexan-2-yl)pentane-1,2-diamine is CC(C)CC(CNC(C)CCCC(F)(F)F)N(C)C.
What is the InChIKey of 2-N,2-N,4-trimethyl-1-N-(6,6,6-trifluorohexan-2-yl)pentane-1,2-diamine?
The InChIKey is VZFDGMBCFIFBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29F3N2/c1-11(2)9-13(19(4)5)10-18-12(3)7-6-8-14(15,16)17/h11-13,18H,6-10H2,1-5H3.
What are the key properties of 2-N,2-N,4-trimethyl-1-N-(6,6,6-trifluorohexan-2-yl)pentane-1,2-diamine?
2-N,2-N,4-trimethyl-1-N-(6,6,6-trifluorohexan-2-yl)pentane-1,2-diamine has a molecular weight of 282.39 g/mol, XLogP of 3.67, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-trimethyl-1-N-(6,6,6-trifluorohexan-2-yl)pentane-1,2-diamine is sourced from PubChem (CID 116534156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).