(5Z)-7-fluoro-N-methyl-3,4-dimethylideneocta-5,7-dien-1-amine

C11H16FN — CID 145360735

IUPAC(5Z)-7-fluoro-N-methyl-3,4-dimethylideneocta-5,7-dien-1-amine
SMILESC=C(F)/C=C\C(=C)C(=C)CCNC
InChIInChI=1S/C11H16FN/c1-9(5-6-11(3)12)10(2)7-8-13-4/h5-6,13H,1-3,7-8H2,4H3/b6-5-
InChIKeyPOACMRMGNYDWIG-WAYWQWQTSA-N
MW181.25 g/mol
LogP2.75
Rot. Bonds6

About (5Z)-7-fluoro-N-methyl-3,4-dimethylideneocta-5,7-dien-1-amine

(5Z)-7-fluoro-N-methyl-3,4-dimethylideneocta-5,7-dien-1-amine (PubChem CID 145360735) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is (5Z)-7-fluoro-N-methyl-3,4-dimethylideneocta-5,7-dien-1-amine.

Molecular Properties

Compound Name(5Z)-7-fluoro-N-methyl-3,4-dimethylideneocta-5,7-dien-1-amine
PubChem CID145360735
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name(5Z)-7-fluoro-N-methyl-3,4-dimethylideneocta-5,7-dien-1-amine
SMILESC=C(F)/C=C\C(=C)C(=C)CCNC
InChIInChI=1S/C11H16FN/c1-9(5-6-11(3)12)10(2)7-8-13-4/h5-6,13H,1-3,7-8H2,4H3/b6-5-
InChIKeyPOACMRMGNYDWIG-WAYWQWQTSA-N
XLogP2.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 52.75
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)-7-fluoro-N-methyl-3,4-dimethylideneocta-5,7-dien-1-amine?
The IUPAC name of (5Z)-7-fluoro-N-methyl-3,4-dimethylideneocta-5,7-dien-1-amine (CID 145360735) is (5Z)-7-fluoro-N-methyl-3,4-dimethylideneocta-5,7-dien-1-amine.
What is the SMILES notation for (5Z)-7-fluoro-N-methyl-3,4-dimethylideneocta-5,7-dien-1-amine?
The canonical SMILES for (5Z)-7-fluoro-N-methyl-3,4-dimethylideneocta-5,7-dien-1-amine is C=C(F)/C=C\C(=C)C(=C)CCNC.
What is the InChIKey of (5Z)-7-fluoro-N-methyl-3,4-dimethylideneocta-5,7-dien-1-amine?
The InChIKey is POACMRMGNYDWIG-WAYWQWQTSA-N. The full InChI is InChI=1S/C11H16FN/c1-9(5-6-11(3)12)10(2)7-8-13-4/h5-6,13H,1-3,7-8H2,4H3/b6-5-.
What are the key properties of (5Z)-7-fluoro-N-methyl-3,4-dimethylideneocta-5,7-dien-1-amine?
(5Z)-7-fluoro-N-methyl-3,4-dimethylideneocta-5,7-dien-1-amine has a molecular weight of 181.25 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-7-fluoro-N-methyl-3,4-dimethylideneocta-5,7-dien-1-amine is sourced from PubChem (CID 145360735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).