(5E)-6-fluoro-2-[(E)-2-methoxyprop-1-enyl]-N,N-dimethylhexa-3,5-dien-1-amine

C12H20FNO — CID 142929017

IUPAC(5E)-6-fluoro-2-[(E)-2-methoxyprop-1-enyl]-N,N-dimethylhexa-3,5-dien-1-amine
SMILESCO/C(C)=C/C(C=C/C=C/F)CN(C)C
InChIInChI=1S/C12H20FNO/c1-11(15-4)9-12(10-14(2)3)7-5-6-8-13/h5-9,12H,10H2,1-4H3/b7-5?,8-6+,11-9+
InChIKeyCPTNTQGKPAQJGF-GKDQZFSASA-N
MW213.30 g/mol
LogP2.75
Rot. Bonds6

About (5E)-6-fluoro-2-[(E)-2-methoxyprop-1-enyl]-N,N-dimethylhexa-3,5-dien-1-amine

(5E)-6-fluoro-2-[(E)-2-methoxyprop-1-enyl]-N,N-dimethylhexa-3,5-dien-1-amine (PubChem CID 142929017) has the molecular formula C12H20FNO and a molecular weight of 213.30 g/mol. Its IUPAC name is (5E)-6-fluoro-2-[(E)-2-methoxyprop-1-enyl]-N,N-dimethylhexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(5E)-6-fluoro-2-[(E)-2-methoxyprop-1-enyl]-N,N-dimethylhexa-3,5-dien-1-amine
PubChem CID142929017
Molecular FormulaC12H20FNO
Molecular Weight213.30 g/mol
Exact Mass213.15
IUPAC Name(5E)-6-fluoro-2-[(E)-2-methoxyprop-1-enyl]-N,N-dimethylhexa-3,5-dien-1-amine
SMILESCO/C(C)=C/C(C=C/C=C/F)CN(C)C
InChIInChI=1S/C12H20FNO/c1-11(15-4)9-12(10-14(2)3)7-5-6-8-13/h5-9,12H,10H2,1-4H3/b7-5?,8-6+,11-9+
InChIKeyCPTNTQGKPAQJGF-GKDQZFSASA-N
XLogP2.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxycyclopenta-2,4-dien-1-yl)-N,N-dimethylmethanamine
CID 129813087
(3Z,5E)-N-ethyl-6-methoxy-N-methyl-2-methylidenehepta-3,5-dien-1-amine
CID 143074213

Frequently Asked Questions

What is the IUPAC name of (5E)-6-fluoro-2-[(E)-2-methoxyprop-1-enyl]-N,N-dimethylhexa-3,5-dien-1-amine?
The IUPAC name of (5E)-6-fluoro-2-[(E)-2-methoxyprop-1-enyl]-N,N-dimethylhexa-3,5-dien-1-amine (CID 142929017) is (5E)-6-fluoro-2-[(E)-2-methoxyprop-1-enyl]-N,N-dimethylhexa-3,5-dien-1-amine.
What is the SMILES notation for (5E)-6-fluoro-2-[(E)-2-methoxyprop-1-enyl]-N,N-dimethylhexa-3,5-dien-1-amine?
The canonical SMILES for (5E)-6-fluoro-2-[(E)-2-methoxyprop-1-enyl]-N,N-dimethylhexa-3,5-dien-1-amine is CO/C(C)=C/C(C=C/C=C/F)CN(C)C.
What is the InChIKey of (5E)-6-fluoro-2-[(E)-2-methoxyprop-1-enyl]-N,N-dimethylhexa-3,5-dien-1-amine?
The InChIKey is CPTNTQGKPAQJGF-GKDQZFSASA-N. The full InChI is InChI=1S/C12H20FNO/c1-11(15-4)9-12(10-14(2)3)7-5-6-8-13/h5-9,12H,10H2,1-4H3/b7-5?,8-6+,11-9+.
What are the key properties of (5E)-6-fluoro-2-[(E)-2-methoxyprop-1-enyl]-N,N-dimethylhexa-3,5-dien-1-amine?
(5E)-6-fluoro-2-[(E)-2-methoxyprop-1-enyl]-N,N-dimethylhexa-3,5-dien-1-amine has a molecular weight of 213.30 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-6-fluoro-2-[(E)-2-methoxyprop-1-enyl]-N,N-dimethylhexa-3,5-dien-1-amine is sourced from PubChem (CID 142929017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).