(1Z,3E,5Z,7E)-8-fluoro-4,7-dimethylnona-1,3,5,7-tetraen-1-amine

C11H16FN — CID 146550324

IUPAC(1Z,3E,5Z,7E)-8-fluoro-4,7-dimethylnona-1,3,5,7-tetraen-1-amine
SMILESCC(/C=C\C(C)=C(/C)F)=C\C=C/N
InChIInChI=1S/C11H16FN/c1-9(5-4-8-13)6-7-10(2)11(3)12/h4-8H,13H2,1-3H3/b7-6-,8-4-,9-5+,11-10+
InChIKeyVDEULFCPGVISNB-ABULRWQDSA-N
MW181.25 g/mol
LogP3.22
Rot. Bonds3

About (1Z,3E,5Z,7E)-8-fluoro-4,7-dimethylnona-1,3,5,7-tetraen-1-amine

(1Z,3E,5Z,7E)-8-fluoro-4,7-dimethylnona-1,3,5,7-tetraen-1-amine (PubChem CID 146550324) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is (1Z,3E,5Z,7E)-8-fluoro-4,7-dimethylnona-1,3,5,7-tetraen-1-amine.

Molecular Properties

Compound Name(1Z,3E,5Z,7E)-8-fluoro-4,7-dimethylnona-1,3,5,7-tetraen-1-amine
PubChem CID146550324
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name(1Z,3E,5Z,7E)-8-fluoro-4,7-dimethylnona-1,3,5,7-tetraen-1-amine
SMILESCC(/C=C\C(C)=C(/C)F)=C\C=C/N
InChIInChI=1S/C11H16FN/c1-9(5-4-8-13)6-7-10(2)11(3)12/h4-8H,13H2,1-3H3/b7-6-,8-4-,9-5+,11-10+
InChIKeyVDEULFCPGVISNB-ABULRWQDSA-N
XLogP3.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1E,3Z,5Z)-4-methylhepta-1,3,5-trien-1-amine
CID 88966128
(1E,3Z)-4,6-dimethylhepta-1,3,5-trien-1-amine
CID 143275427
(1Z,3E,5E,7Z,9Z,11E)-7-methyltrideca-1,3,5,7,9,11-hexaen-1-amine
CID 145412761
(2Z,4E)-5-aminopenta-2,4-diene-2-thiol
CID 89363639
(1Z,3Z)-3,6-dimethylhepta-1,3,5-trien-1-amine
CID 130224549
(3Z)-buta-1,3-diene-1,1,4-triamine;ethane
CID 144743431
(1Z,3Z,5E)-1-fluoro-3-methylhepta-1,3,5-triene
CID 89402474
acetylene;(2E,4Z)-2-fluoro-3-methylhepta-2,4-diene
CID 142928333
(2E,4Z,6E)-7-aminohepta-2,4,6-trien-2-ol
CID 142883344
(1E,3Z,5E)-1,6-dichloro-3-methylhexa-1,3,5-triene
CID 88535006
(1Z,3E,5E,7E,9E,11E,13E,15Z)-2,6,11,15-tetramethylhexadeca-1,3,5,7,9,11,13,15-octaene-1,16-diol
CID 102040376
4-methylocta-2,4,6-trienedial
CID 74956406

Frequently Asked Questions

What is the IUPAC name of (1Z,3E,5Z,7E)-8-fluoro-4,7-dimethylnona-1,3,5,7-tetraen-1-amine?
The IUPAC name of (1Z,3E,5Z,7E)-8-fluoro-4,7-dimethylnona-1,3,5,7-tetraen-1-amine (CID 146550324) is (1Z,3E,5Z,7E)-8-fluoro-4,7-dimethylnona-1,3,5,7-tetraen-1-amine.
What is the SMILES notation for (1Z,3E,5Z,7E)-8-fluoro-4,7-dimethylnona-1,3,5,7-tetraen-1-amine?
The canonical SMILES for (1Z,3E,5Z,7E)-8-fluoro-4,7-dimethylnona-1,3,5,7-tetraen-1-amine is CC(/C=C\C(C)=C(/C)F)=C\C=C/N.
What is the InChIKey of (1Z,3E,5Z,7E)-8-fluoro-4,7-dimethylnona-1,3,5,7-tetraen-1-amine?
The InChIKey is VDEULFCPGVISNB-ABULRWQDSA-N. The full InChI is InChI=1S/C11H16FN/c1-9(5-4-8-13)6-7-10(2)11(3)12/h4-8H,13H2,1-3H3/b7-6-,8-4-,9-5+,11-10+.
What are the key properties of (1Z,3E,5Z,7E)-8-fluoro-4,7-dimethylnona-1,3,5,7-tetraen-1-amine?
(1Z,3E,5Z,7E)-8-fluoro-4,7-dimethylnona-1,3,5,7-tetraen-1-amine has a molecular weight of 181.25 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E,5Z,7E)-8-fluoro-4,7-dimethylnona-1,3,5,7-tetraen-1-amine is sourced from PubChem (CID 146550324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).