(5Z)-7-fluoro-N,N,3-trimethyl-4-methylideneocta-5,7-dien-1-amine

C12H20FN — CID 143782134

IUPAC(5Z)-7-fluoro-N,N,3-trimethyl-4-methylideneocta-5,7-dien-1-amine
SMILESC=C(F)/C=C\C(=C)C(C)CCN(C)C
InChIInChI=1S/C12H20FN/c1-10(6-7-12(3)13)11(2)8-9-14(4)5/h6-7,11H,1,3,8-9H2,2,4-5H3/b7-6-
InChIKeyIMRGAYOIYHBYCQ-SREVYHEPSA-N
MW197.30 g/mol
LogP3.17
Rot. Bonds6

About (5Z)-7-fluoro-N,N,3-trimethyl-4-methylideneocta-5,7-dien-1-amine

(5Z)-7-fluoro-N,N,3-trimethyl-4-methylideneocta-5,7-dien-1-amine (PubChem CID 143782134) has the molecular formula C12H20FN and a molecular weight of 197.30 g/mol. Its IUPAC name is (5Z)-7-fluoro-N,N,3-trimethyl-4-methylideneocta-5,7-dien-1-amine.

Molecular Properties

Compound Name(5Z)-7-fluoro-N,N,3-trimethyl-4-methylideneocta-5,7-dien-1-amine
PubChem CID143782134
Molecular FormulaC12H20FN
Molecular Weight197.30 g/mol
Exact Mass197.16
IUPAC Name(5Z)-7-fluoro-N,N,3-trimethyl-4-methylideneocta-5,7-dien-1-amine
SMILESC=C(F)/C=C\C(=C)C(C)CCN(C)C
InChIInChI=1S/C12H20FN/c1-10(6-7-12(3)13)11(2)8-9-14(4)5/h6-7,11H,1,3,8-9H2,2,4-5H3/b7-6-
InChIKeyIMRGAYOIYHBYCQ-SREVYHEPSA-N
XLogP3.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-7-fluoro-N,N,3-trimethyl-4-methylideneocta-5,7-dien-1-amine?
The IUPAC name of (5Z)-7-fluoro-N,N,3-trimethyl-4-methylideneocta-5,7-dien-1-amine (CID 143782134) is (5Z)-7-fluoro-N,N,3-trimethyl-4-methylideneocta-5,7-dien-1-amine.
What is the SMILES notation for (5Z)-7-fluoro-N,N,3-trimethyl-4-methylideneocta-5,7-dien-1-amine?
The canonical SMILES for (5Z)-7-fluoro-N,N,3-trimethyl-4-methylideneocta-5,7-dien-1-amine is C=C(F)/C=C\C(=C)C(C)CCN(C)C.
What is the InChIKey of (5Z)-7-fluoro-N,N,3-trimethyl-4-methylideneocta-5,7-dien-1-amine?
The InChIKey is IMRGAYOIYHBYCQ-SREVYHEPSA-N. The full InChI is InChI=1S/C12H20FN/c1-10(6-7-12(3)13)11(2)8-9-14(4)5/h6-7,11H,1,3,8-9H2,2,4-5H3/b7-6-.
What are the key properties of (5Z)-7-fluoro-N,N,3-trimethyl-4-methylideneocta-5,7-dien-1-amine?
(5Z)-7-fluoro-N,N,3-trimethyl-4-methylideneocta-5,7-dien-1-amine has a molecular weight of 197.30 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-7-fluoro-N,N,3-trimethyl-4-methylideneocta-5,7-dien-1-amine is sourced from PubChem (CID 143782134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).