(5Z)-N-ethyl-7-fluoro-2-methyl-4-methylideneocta-5,7-dien-2-amine

C12H20FN — CID 143966232

IUPAC(5Z)-N-ethyl-7-fluoro-2-methyl-4-methylideneocta-5,7-dien-2-amine
SMILESC=C(F)/C=C\C(=C)CC(C)(C)NCC
InChIInChI=1S/C12H20FN/c1-6-14-12(4,5)9-10(2)7-8-11(3)13/h7-8,14H,2-3,6,9H2,1,4-5H3/b8-7-
InChIKeyJCYANIOTUGXWTI-FPLPWBNLSA-N
MW197.30 g/mol
LogP3.36
Rot. Bonds6

About (5Z)-N-ethyl-7-fluoro-2-methyl-4-methylideneocta-5,7-dien-2-amine

(5Z)-N-ethyl-7-fluoro-2-methyl-4-methylideneocta-5,7-dien-2-amine (PubChem CID 143966232) has the molecular formula C12H20FN and a molecular weight of 197.30 g/mol. Its IUPAC name is (5Z)-N-ethyl-7-fluoro-2-methyl-4-methylideneocta-5,7-dien-2-amine.

Molecular Properties

Compound Name(5Z)-N-ethyl-7-fluoro-2-methyl-4-methylideneocta-5,7-dien-2-amine
PubChem CID143966232
Molecular FormulaC12H20FN
Molecular Weight197.30 g/mol
Exact Mass197.16
IUPAC Name(5Z)-N-ethyl-7-fluoro-2-methyl-4-methylideneocta-5,7-dien-2-amine
SMILESC=C(F)/C=C\C(=C)CC(C)(C)NCC
InChIInChI=1S/C12H20FN/c1-6-14-12(4,5)9-10(2)7-8-11(3)13/h7-8,14H,2-3,6,9H2,1,4-5H3/b8-7-
InChIKeyJCYANIOTUGXWTI-FPLPWBNLSA-N
XLogP3.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 53.36
H-Bond Donors ≤ 51
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)-N-ethyl-7-fluoro-2-methyl-4-methylideneocta-5,7-dien-2-amine?
The IUPAC name of (5Z)-N-ethyl-7-fluoro-2-methyl-4-methylideneocta-5,7-dien-2-amine (CID 143966232) is (5Z)-N-ethyl-7-fluoro-2-methyl-4-methylideneocta-5,7-dien-2-amine.
What is the SMILES notation for (5Z)-N-ethyl-7-fluoro-2-methyl-4-methylideneocta-5,7-dien-2-amine?
The canonical SMILES for (5Z)-N-ethyl-7-fluoro-2-methyl-4-methylideneocta-5,7-dien-2-amine is C=C(F)/C=C\C(=C)CC(C)(C)NCC.
What is the InChIKey of (5Z)-N-ethyl-7-fluoro-2-methyl-4-methylideneocta-5,7-dien-2-amine?
The InChIKey is JCYANIOTUGXWTI-FPLPWBNLSA-N. The full InChI is InChI=1S/C12H20FN/c1-6-14-12(4,5)9-10(2)7-8-11(3)13/h7-8,14H,2-3,6,9H2,1,4-5H3/b8-7-.
What are the key properties of (5Z)-N-ethyl-7-fluoro-2-methyl-4-methylideneocta-5,7-dien-2-amine?
(5Z)-N-ethyl-7-fluoro-2-methyl-4-methylideneocta-5,7-dien-2-amine has a molecular weight of 197.30 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-N-ethyl-7-fluoro-2-methyl-4-methylideneocta-5,7-dien-2-amine is sourced from PubChem (CID 143966232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).