N',N'-di(propan-2-yl)-N-(6,6,6-trifluorohexan-2-yl)ethane-1,2-diamine

C14H29F3N2 — CID 116533966

IUPACN',N'-di(propan-2-yl)-N-(6,6,6-trifluorohexan-2-yl)ethane-1,2-diamine
SMILESCC(CCCC(F)(F)F)NCCN(C(C)C)C(C)C
InChIInChI=1S/C14H29F3N2/c1-11(2)19(12(3)4)10-9-18-13(5)7-6-8-14(15,16)17/h11-13,18H,6-10H2,1-5H3
InChIKeyXMCIGLOCCUKXLI-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.82
Rot. Bonds9

About N',N'-di(propan-2-yl)-N-(6,6,6-trifluorohexan-2-yl)ethane-1,2-diamine

N',N'-di(propan-2-yl)-N-(6,6,6-trifluorohexan-2-yl)ethane-1,2-diamine (PubChem CID 116533966) has the molecular formula C14H29F3N2 and a molecular weight of 282.39 g/mol. Its IUPAC name is N',N'-di(propan-2-yl)-N-(6,6,6-trifluorohexan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-di(propan-2-yl)-N-(6,6,6-trifluorohexan-2-yl)ethane-1,2-diamine
PubChem CID116533966
Molecular FormulaC14H29F3N2
Molecular Weight282.39 g/mol
Exact Mass282.23
IUPAC NameN',N'-di(propan-2-yl)-N-(6,6,6-trifluorohexan-2-yl)ethane-1,2-diamine
SMILESCC(CCCC(F)(F)F)NCCN(C(C)C)C(C)C
InChIInChI=1S/C14H29F3N2/c1-11(2)19(12(3)4)10-9-18-13(5)7-6-8-14(15,16)17/h11-13,18H,6-10H2,1-5H3
InChIKeyXMCIGLOCCUKXLI-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6,6,6-trifluoro-N-(3,3,3-trifluoropropyl)hexan-2-amine
CID 116534777
N',N'-di(propan-2-yl)-N-(4,4,4-trifluorobutyl)ethane-1,2-diamine
CID 115513417
N-nonan-2-yl-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43129707
6,6,6-trifluoro-N-hexylhexan-2-amine
CID 116534124
3-(4,4,4-trifluorobutylamino)butan-1-ol
CID 83177888
6,6,6-trifluoro-N-(3-methylsulfanylpropyl)hexan-2-amine
CID 116534805
N-(3,3,3-trifluoropropyl)hexan-2-amine
CID 63226562
5-methyl-N-(4,4,4-trifluorobutyl)hexan-2-amine
CID 81343293
N-hex-5-en-2-yl-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 104581510
tert-butyl N-[4-(6,6,6-trifluorohexan-2-ylamino)butan-2-yl]carbamate
CID 104925089
6,6,6-trifluoro-N-(2-methoxypropyl)hexan-2-amine
CID 102696096
2-N,2-N,4-trimethyl-1-N-(6,6,6-trifluorohexan-2-yl)pentane-1,2-diamine
CID 116534156

Frequently Asked Questions

What is the IUPAC name of N',N'-di(propan-2-yl)-N-(6,6,6-trifluorohexan-2-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-di(propan-2-yl)-N-(6,6,6-trifluorohexan-2-yl)ethane-1,2-diamine (CID 116533966) is N',N'-di(propan-2-yl)-N-(6,6,6-trifluorohexan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-di(propan-2-yl)-N-(6,6,6-trifluorohexan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-di(propan-2-yl)-N-(6,6,6-trifluorohexan-2-yl)ethane-1,2-diamine is CC(CCCC(F)(F)F)NCCN(C(C)C)C(C)C.
What is the InChIKey of N',N'-di(propan-2-yl)-N-(6,6,6-trifluorohexan-2-yl)ethane-1,2-diamine?
The InChIKey is XMCIGLOCCUKXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29F3N2/c1-11(2)19(12(3)4)10-9-18-13(5)7-6-8-14(15,16)17/h11-13,18H,6-10H2,1-5H3.
What are the key properties of N',N'-di(propan-2-yl)-N-(6,6,6-trifluorohexan-2-yl)ethane-1,2-diamine?
N',N'-di(propan-2-yl)-N-(6,6,6-trifluorohexan-2-yl)ethane-1,2-diamine has a molecular weight of 282.39 g/mol, XLogP of 3.82, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-di(propan-2-yl)-N-(6,6,6-trifluorohexan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 116533966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).