3-N,3-N,4-N-triethyl-7,7,7-trifluoro-3-methylheptane-3,4-diamine

C14H29F3N2 — CID 79068528

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

About 3-N,3-N,4-N-triethyl-7,7,7-trifluoro-3-methylheptane-3,4-diamine

3-N,3-N,4-N-triethyl-7,7,7-trifluoro-3-methylheptane-3,4-diamine (PubChem CID 79068528) has the molecular formula C14H29F3N2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-N,3-N,4-N-triethyl-7,7,7-trifluoro-3-methylheptane-3,4-diamine.

Molecular Properties

Compound Name3-N,3-N,4-N-triethyl-7,7,7-trifluoro-3-methylheptane-3,4-diamine
PubChem CID79068528
Molecular FormulaC14H29F3N2
Molecular Weight282.39 g/mol
Exact Mass282.23
IUPAC Name3-N,3-N,4-N-triethyl-7,7,7-trifluoro-3-methylheptane-3,4-diamine
SMILESCCNC(CCC(F)(F)F)C(C)(CC)N(CC)CC
InChIInChI=1S/C14H29F3N2/c1-6-13(5,19(8-3)9-4)12(18-7-2)10-11-14(15,16)17/h12,18H,6-11H2,1-5H3
InChIKeyLNXZXIOBOQLVJV-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-diethyl-8,8,8-trifluoro-4-N,3-dimethyloctane-3,4-diamine
CID 115517197
2-N,3-N,3-N-triethyl-3-methyl-1-thiophen-3-ylpentane-2,3-diamine
CID 79069073
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,3-N,3-N-triethyl-1-(3-fluorophenyl)-3-methylpentane-2,3-diamine
CID 79058314
3-N,3-N-diethyl-4-N,3,6-trimethylheptane-3,4-diamine
CID 79068984
1-cyclopropyl-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine
CID 79068683
4-N-ethyl-3-N,3-N,3-trimethyltetradecane-3,4-diamine
CID 79057264
N-ethyl-1,1,1-trifluoro-7,7-dimethyloctan-4-amine
CID 79954629
1-(5-bromo-3-pyridinyl)-2-N,3-N,3-N-triethyl-3-methylpentane-2,3-diamine
CID 104802945
1-N,3-N-diethyl-4,4-dimethyl-1-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine
CID 62624262
N,3-diethyl-8,8,8-trifluoro-3-pyrrolidin-1-yloctan-4-amine
CID 115517230

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,4-N-triethyl-7,7,7-trifluoro-3-methylheptane-3,4-diamine?
The IUPAC name of 3-N,3-N,4-N-triethyl-7,7,7-trifluoro-3-methylheptane-3,4-diamine (CID 79068528) is 3-N,3-N,4-N-triethyl-7,7,7-trifluoro-3-methylheptane-3,4-diamine.
What is the SMILES notation for 3-N,3-N,4-N-triethyl-7,7,7-trifluoro-3-methylheptane-3,4-diamine?
The canonical SMILES for 3-N,3-N,4-N-triethyl-7,7,7-trifluoro-3-methylheptane-3,4-diamine is CCNC(CCC(F)(F)F)C(C)(CC)N(CC)CC.
What is the InChIKey of 3-N,3-N,4-N-triethyl-7,7,7-trifluoro-3-methylheptane-3,4-diamine?
The InChIKey is LNXZXIOBOQLVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29F3N2/c1-6-13(5,19(8-3)9-4)12(18-7-2)10-11-14(15,16)17/h12,18H,6-11H2,1-5H3.
What are the key properties of 3-N,3-N,4-N-triethyl-7,7,7-trifluoro-3-methylheptane-3,4-diamine?
3-N,3-N,4-N-triethyl-7,7,7-trifluoro-3-methylheptane-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,4-N-triethyl-7,7,7-trifluoro-3-methylheptane-3,4-diamine is sourced from PubChem (CID 79068528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).