3-N,3-N-diethyl-8,8,8-trifluoro-4-N,3-dimethyloctane-3,4-diamine

C14H29F3N2 — CID 115517197

IUPAC3-N,3-N-diethyl-8,8,8-trifluoro-4-N,3-dimethyloctane-3,4-diamine
SMILESCCN(CC)C(C)(CC)C(CCCC(F)(F)F)NC
InChIInChI=1S/C14H29F3N2/c1-6-13(4,19(7-2)8-3)12(18-5)10-9-11-14(15,16)17/h12,18H,6-11H2,1-5H3
InChIKeyCCFMSKJNTIXYHX-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.82
Rot. Bonds9

About 3-N,3-N-diethyl-8,8,8-trifluoro-4-N,3-dimethyloctane-3,4-diamine

3-N,3-N-diethyl-8,8,8-trifluoro-4-N,3-dimethyloctane-3,4-diamine (PubChem CID 115517197) has the molecular formula C14H29F3N2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-N,3-N-diethyl-8,8,8-trifluoro-4-N,3-dimethyloctane-3,4-diamine.

Molecular Properties

Compound Name3-N,3-N-diethyl-8,8,8-trifluoro-4-N,3-dimethyloctane-3,4-diamine
PubChem CID115517197
Molecular FormulaC14H29F3N2
Molecular Weight282.39 g/mol
Exact Mass282.23
IUPAC Name3-N,3-N-diethyl-8,8,8-trifluoro-4-N,3-dimethyloctane-3,4-diamine
SMILESCCN(CC)C(C)(CC)C(CCCC(F)(F)F)NC
InChIInChI=1S/C14H29F3N2/c1-6-13(4,19(7-2)8-3)12(18-5)10-9-11-14(15,16)17/h12,18H,6-11H2,1-5H3
InChIKeyCCFMSKJNTIXYHX-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

3-N,3-N,4-N-triethyl-7,7,7-trifluoro-3-methylheptane-3,4-diamine
CID 79068528
3-N,3-N-diethyl-4-N,3,6-trimethylheptane-3,4-diamine
CID 79068984
7,7,7-trifluoro-2-methoxy-N,2-dimethylheptan-3-amine
CID 115517311
3-N,3-N-diethyl-4-N,3-dimethylhept-6-yne-3,4-diamine
CID 79069459
3-(diethylamino)-3-ethyl-8,8,8-trifluorooctan-4-ol
CID 115516163
4-N,4-N-diethyl-3-N,4-dimethyl-1-(oxolan-2-yl)hexane-3,4-diamine
CID 79069373
3-N,3-N-diethyl-3-methyl-4-N-propyldecane-3,4-diamine
CID 79069155
3-N,3-N-diethyl-3-methyl-4-N-propylundecane-3,4-diamine
CID 79058558
2-N,2-N-diethyl-3-N,2-dimethyldecane-2,3-diamine
CID 79052772
2-N,2-N-diethyl-3-N,2-dimethylnonane-2,3-diamine
CID 79052771
2-N,2-N-diethyl-3-N,2-dimethyldodecane-2,3-diamine
CID 79053578
N,N-diethyl-4-hydrazinyl-3-methyl-7-phenylheptan-3-amine
CID 105240772

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-diethyl-8,8,8-trifluoro-4-N,3-dimethyloctane-3,4-diamine?
The IUPAC name of 3-N,3-N-diethyl-8,8,8-trifluoro-4-N,3-dimethyloctane-3,4-diamine (CID 115517197) is 3-N,3-N-diethyl-8,8,8-trifluoro-4-N,3-dimethyloctane-3,4-diamine.
What is the SMILES notation for 3-N,3-N-diethyl-8,8,8-trifluoro-4-N,3-dimethyloctane-3,4-diamine?
The canonical SMILES for 3-N,3-N-diethyl-8,8,8-trifluoro-4-N,3-dimethyloctane-3,4-diamine is CCN(CC)C(C)(CC)C(CCCC(F)(F)F)NC.
What is the InChIKey of 3-N,3-N-diethyl-8,8,8-trifluoro-4-N,3-dimethyloctane-3,4-diamine?
The InChIKey is CCFMSKJNTIXYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29F3N2/c1-6-13(4,19(7-2)8-3)12(18-5)10-9-11-14(15,16)17/h12,18H,6-11H2,1-5H3.
What are the key properties of 3-N,3-N-diethyl-8,8,8-trifluoro-4-N,3-dimethyloctane-3,4-diamine?
3-N,3-N-diethyl-8,8,8-trifluoro-4-N,3-dimethyloctane-3,4-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 3-N,3-N-diethyl-8,8,8-trifluoro-4-N,3-dimethyloctane-3,4-diamine is sourced from PubChem (CID 115517197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).