(Z)-6-fluoro-N-methyl-N-[(1Z)-2-methylbuta-1,3-dienyl]hex-2-en-3-amine

C12H20FN — CID 167172103

IUPAC(Z)-6-fluoro-N-methyl-N-[(1Z)-2-methylbuta-1,3-dienyl]hex-2-en-3-amine
SMILESC=C/C(C)=C\N(C)/C(=C\C)CCCF
InChIInChI=1S/C12H20FN/c1-5-11(3)10-14(4)12(6-2)8-7-9-13/h5-6,10H,1,7-9H2,2-4H3/b11-10-,12-6-
InChIKeyFVQGWSYAENBUME-YPXHGVPTSA-N
MW197.30 g/mol
LogP3.66
Rot. Bonds6

About (Z)-6-fluoro-N-methyl-N-[(1Z)-2-methylbuta-1,3-dienyl]hex-2-en-3-amine

(Z)-6-fluoro-N-methyl-N-[(1Z)-2-methylbuta-1,3-dienyl]hex-2-en-3-amine (PubChem CID 167172103) has the molecular formula C12H20FN and a molecular weight of 197.30 g/mol. Its IUPAC name is (Z)-6-fluoro-N-methyl-N-[(1Z)-2-methylbuta-1,3-dienyl]hex-2-en-3-amine.

Molecular Properties

Compound Name(Z)-6-fluoro-N-methyl-N-[(1Z)-2-methylbuta-1,3-dienyl]hex-2-en-3-amine
PubChem CID167172103
Molecular FormulaC12H20FN
Molecular Weight197.30 g/mol
Exact Mass197.16
IUPAC Name(Z)-6-fluoro-N-methyl-N-[(1Z)-2-methylbuta-1,3-dienyl]hex-2-en-3-amine
SMILESC=C/C(C)=C\N(C)/C(=C\C)CCCF
InChIInChI=1S/C12H20FN/c1-5-11(3)10-14(4)12(6-2)8-7-9-13/h5-6,10H,1,7-9H2,2-4H3/b11-10-,12-6-
InChIKeyFVQGWSYAENBUME-YPXHGVPTSA-N
XLogP3.66
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 ≤ 53.66
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 (Z)-6-fluoro-N-methyl-N-[(1Z)-2-methylbuta-1,3-dienyl]hex-2-en-3-amine?
The IUPAC name of (Z)-6-fluoro-N-methyl-N-[(1Z)-2-methylbuta-1,3-dienyl]hex-2-en-3-amine (CID 167172103) is (Z)-6-fluoro-N-methyl-N-[(1Z)-2-methylbuta-1,3-dienyl]hex-2-en-3-amine.
What is the SMILES notation for (Z)-6-fluoro-N-methyl-N-[(1Z)-2-methylbuta-1,3-dienyl]hex-2-en-3-amine?
The canonical SMILES for (Z)-6-fluoro-N-methyl-N-[(1Z)-2-methylbuta-1,3-dienyl]hex-2-en-3-amine is C=C/C(C)=C\N(C)/C(=C\C)CCCF.
What is the InChIKey of (Z)-6-fluoro-N-methyl-N-[(1Z)-2-methylbuta-1,3-dienyl]hex-2-en-3-amine?
The InChIKey is FVQGWSYAENBUME-YPXHGVPTSA-N. The full InChI is InChI=1S/C12H20FN/c1-5-11(3)10-14(4)12(6-2)8-7-9-13/h5-6,10H,1,7-9H2,2-4H3/b11-10-,12-6-.
What are the key properties of (Z)-6-fluoro-N-methyl-N-[(1Z)-2-methylbuta-1,3-dienyl]hex-2-en-3-amine?
(Z)-6-fluoro-N-methyl-N-[(1Z)-2-methylbuta-1,3-dienyl]hex-2-en-3-amine has a molecular weight of 197.30 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-fluoro-N-methyl-N-[(1Z)-2-methylbuta-1,3-dienyl]hex-2-en-3-amine is sourced from PubChem (CID 167172103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).