(E)-1-fluoro-N,N-dimethyl-3-methylidenehex-1-en-1-amine

C9H16FN — CID 143551187

IUPAC(E)-1-fluoro-N,N-dimethyl-3-methylidenehex-1-en-1-amine
SMILESC=C(/C=C(/F)N(C)C)CCC
InChIInChI=1S/C9H16FN/c1-5-6-8(2)7-9(10)11(3)4/h7H,2,5-6H2,1,3-4H3/b9-7-
InChIKeyGOVZRPKRULMKLS-CLFYSBASSA-N
MW157.23 g/mol
LogP2.72
Rot. Bonds4

About (E)-1-fluoro-N,N-dimethyl-3-methylidenehex-1-en-1-amine

(E)-1-fluoro-N,N-dimethyl-3-methylidenehex-1-en-1-amine (PubChem CID 143551187) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is (E)-1-fluoro-N,N-dimethyl-3-methylidenehex-1-en-1-amine.

Molecular Properties

Compound Name(E)-1-fluoro-N,N-dimethyl-3-methylidenehex-1-en-1-amine
PubChem CID143551187
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name(E)-1-fluoro-N,N-dimethyl-3-methylidenehex-1-en-1-amine
SMILESC=C(/C=C(/F)N(C)C)CCC
InChIInChI=1S/C9H16FN/c1-5-6-8(2)7-9(10)11(3)4/h7H,2,5-6H2,1,3-4H3/b9-7-
InChIKeyGOVZRPKRULMKLS-CLFYSBASSA-N
XLogP2.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-fluoro-N,N-dimethyl-3-methylidenehex-1-en-1-amine?
The IUPAC name of (E)-1-fluoro-N,N-dimethyl-3-methylidenehex-1-en-1-amine (CID 143551187) is (E)-1-fluoro-N,N-dimethyl-3-methylidenehex-1-en-1-amine.
What is the SMILES notation for (E)-1-fluoro-N,N-dimethyl-3-methylidenehex-1-en-1-amine?
The canonical SMILES for (E)-1-fluoro-N,N-dimethyl-3-methylidenehex-1-en-1-amine is C=C(/C=C(/F)N(C)C)CCC.
What is the InChIKey of (E)-1-fluoro-N,N-dimethyl-3-methylidenehex-1-en-1-amine?
The InChIKey is GOVZRPKRULMKLS-CLFYSBASSA-N. The full InChI is InChI=1S/C9H16FN/c1-5-6-8(2)7-9(10)11(3)4/h7H,2,5-6H2,1,3-4H3/b9-7-.
What are the key properties of (E)-1-fluoro-N,N-dimethyl-3-methylidenehex-1-en-1-amine?
(E)-1-fluoro-N,N-dimethyl-3-methylidenehex-1-en-1-amine has a molecular weight of 157.23 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-fluoro-N,N-dimethyl-3-methylidenehex-1-en-1-amine is sourced from PubChem (CID 143551187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).