(E,3S,4R)-8-fluoro-N,3,4-trimethylundec-8-en-1-amine

C14H28FN — CID 174019251

IUPAC(E,3S,4R)-8-fluoro-N,3,4-trimethylundec-8-en-1-amine
SMILESCC/C=C(/F)CCC[C@@H](C)[C@@H](C)CCNC
InChIInChI=1S/C14H28FN/c1-5-7-14(15)9-6-8-12(2)13(3)10-11-16-4/h7,12-13,16H,5-6,8-11H2,1-4H3/b14-7+/t12-,13+/m1/s1
InChIKeyFJXNPHTYQOJUMI-DNLHMGNTSA-N
MW229.38 g/mol
LogP4.30
Rot. Bonds9

About (E,3S,4R)-8-fluoro-N,3,4-trimethylundec-8-en-1-amine

(E,3S,4R)-8-fluoro-N,3,4-trimethylundec-8-en-1-amine (PubChem CID 174019251) has the molecular formula C14H28FN and a molecular weight of 229.38 g/mol. Its IUPAC name is (E,3S,4R)-8-fluoro-N,3,4-trimethylundec-8-en-1-amine.

Molecular Properties

Compound Name(E,3S,4R)-8-fluoro-N,3,4-trimethylundec-8-en-1-amine
PubChem CID174019251
Molecular FormulaC14H28FN
Molecular Weight229.38 g/mol
Exact Mass229.22
IUPAC Name(E,3S,4R)-8-fluoro-N,3,4-trimethylundec-8-en-1-amine
SMILESCC/C=C(/F)CCC[C@@H](C)[C@@H](C)CCNC
InChIInChI=1S/C14H28FN/c1-5-7-14(15)9-6-8-12(2)13(3)10-11-16-4/h7,12-13,16H,5-6,8-11H2,1-4H3/b14-7+/t12-,13+/m1/s1
InChIKeyFJXNPHTYQOJUMI-DNLHMGNTSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.38
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E,3S,4R)-8-fluoro-N,3,4-trimethylundec-8-en-1-amine?
The IUPAC name of (E,3S,4R)-8-fluoro-N,3,4-trimethylundec-8-en-1-amine (CID 174019251) is (E,3S,4R)-8-fluoro-N,3,4-trimethylundec-8-en-1-amine.
What is the SMILES notation for (E,3S,4R)-8-fluoro-N,3,4-trimethylundec-8-en-1-amine?
The canonical SMILES for (E,3S,4R)-8-fluoro-N,3,4-trimethylundec-8-en-1-amine is CC/C=C(/F)CCC[C@@H](C)[C@@H](C)CCNC.
What is the InChIKey of (E,3S,4R)-8-fluoro-N,3,4-trimethylundec-8-en-1-amine?
The InChIKey is FJXNPHTYQOJUMI-DNLHMGNTSA-N. The full InChI is InChI=1S/C14H28FN/c1-5-7-14(15)9-6-8-12(2)13(3)10-11-16-4/h7,12-13,16H,5-6,8-11H2,1-4H3/b14-7+/t12-,13+/m1/s1.
What are the key properties of (E,3S,4R)-8-fluoro-N,3,4-trimethylundec-8-en-1-amine?
(E,3S,4R)-8-fluoro-N,3,4-trimethylundec-8-en-1-amine has a molecular weight of 229.38 g/mol, XLogP of 4.30, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3S,4R)-8-fluoro-N,3,4-trimethylundec-8-en-1-amine is sourced from PubChem (CID 174019251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).