(4Z)-4-[(E)-1-fluoroprop-1-enyl]-N,N-dimethyl-3-propan-2-ylhepta-4,6-dien-2-amine

C15H26FN — CID 126490053

IUPAC(4Z)-4-[(E)-1-fluoroprop-1-enyl]-N,N-dimethyl-3-propan-2-ylhepta-4,6-dien-2-amine
SMILESC=C/C=C(C(\F)=C/C)/C(C(C)C)C(C)N(C)C
InChIInChI=1S/C15H26FN/c1-8-10-13(14(16)9-2)15(11(3)4)12(5)17(6)7/h8-12,15H,1H2,2-7H3/b13-10+,14-9+
InChIKeyVXICEVUTFYGZTF-JUCMHCFKSA-N
MW239.38 g/mol
LogP4.19
Rot. Bonds6

About (4Z)-4-[(E)-1-fluoroprop-1-enyl]-N,N-dimethyl-3-propan-2-ylhepta-4,6-dien-2-amine

(4Z)-4-[(E)-1-fluoroprop-1-enyl]-N,N-dimethyl-3-propan-2-ylhepta-4,6-dien-2-amine (PubChem CID 126490053) has the molecular formula C15H26FN and a molecular weight of 239.38 g/mol. Its IUPAC name is (4Z)-4-[(E)-1-fluoroprop-1-enyl]-N,N-dimethyl-3-propan-2-ylhepta-4,6-dien-2-amine.

Molecular Properties

Compound Name(4Z)-4-[(E)-1-fluoroprop-1-enyl]-N,N-dimethyl-3-propan-2-ylhepta-4,6-dien-2-amine
PubChem CID126490053
Molecular FormulaC15H26FN
Molecular Weight239.38 g/mol
Exact Mass239.20
IUPAC Name(4Z)-4-[(E)-1-fluoroprop-1-enyl]-N,N-dimethyl-3-propan-2-ylhepta-4,6-dien-2-amine
SMILESC=C/C=C(C(\F)=C/C)/C(C(C)C)C(C)N(C)C
InChIInChI=1S/C15H26FN/c1-8-10-13(14(16)9-2)15(11(3)4)12(5)17(6)7/h8-12,15H,1H2,2-7H3/b13-10+,14-9+
InChIKeyVXICEVUTFYGZTF-JUCMHCFKSA-N
XLogP4.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4Z)-4-[(E)-1-fluoroprop-1-enyl]-N,N-dimethyl-3-propan-2-ylhepta-4,6-dien-2-amine with MolForge

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Related Compounds

3-(4-fluorocyclohexa-2,4-dien-1-yl)-N,N-dimethylpropan-1-amine
CID 53831859
(Z,7S)-N-ethyl-7-fluoro-N,3-dimethyl-4-methylidenenon-5-en-1-amine
CID 134365675
3-(4-fluorocyclohepta-1,3,6-trien-1-yl)-N,N-dimethylbutan-1-amine
CID 134365706
3-(5-fluorocyclohepta-1,4,6-trien-1-yl)-N,N-dimethylbutan-1-amine
CID 134365777
(5Z,7E)-7-fluoro-N,3-dimethyl-4-methylidene-N-propylnona-5,7-dien-1-amine
CID 134365787
(5Z,6Z)-5-ethylidene-8-fluoro-N,N,4-trimethylnona-6,8-dien-1-amine
CID 134365833
(5Z,7E)-5-ethenyl-8-fluoro-N,N,3-trimethylocta-5,7-dien-2-amine
CID 137467773
N-[[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]-N-prop-2-enylpropan-2-amine
CID 138519121
(5Z)-7-fluoro-N,N,3-trimethyl-4-methylideneocta-5,7-dien-1-amine
CID 143782134
(5E)-5-fluoro-N,N,3-trimethyl-4-methylideneocta-5,7-dien-1-amine
CID 143782139
5-Butan-2-yl-3-fluoro-1-(4-methylcyclopent-2-en-1-yl)azepine
CID 144376186
3-(5-fluorocyclohepta-1,4,6-trien-1-yl)-N,N-dimethylpentan-1-amine
CID 144635917

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(E)-1-fluoroprop-1-enyl]-N,N-dimethyl-3-propan-2-ylhepta-4,6-dien-2-amine?
The IUPAC name of (4Z)-4-[(E)-1-fluoroprop-1-enyl]-N,N-dimethyl-3-propan-2-ylhepta-4,6-dien-2-amine (CID 126490053) is (4Z)-4-[(E)-1-fluoroprop-1-enyl]-N,N-dimethyl-3-propan-2-ylhepta-4,6-dien-2-amine.
What is the SMILES notation for (4Z)-4-[(E)-1-fluoroprop-1-enyl]-N,N-dimethyl-3-propan-2-ylhepta-4,6-dien-2-amine?
The canonical SMILES for (4Z)-4-[(E)-1-fluoroprop-1-enyl]-N,N-dimethyl-3-propan-2-ylhepta-4,6-dien-2-amine is C=C/C=C(C(\F)=C/C)/C(C(C)C)C(C)N(C)C.
What is the InChIKey of (4Z)-4-[(E)-1-fluoroprop-1-enyl]-N,N-dimethyl-3-propan-2-ylhepta-4,6-dien-2-amine?
The InChIKey is VXICEVUTFYGZTF-JUCMHCFKSA-N. The full InChI is InChI=1S/C15H26FN/c1-8-10-13(14(16)9-2)15(11(3)4)12(5)17(6)7/h8-12,15H,1H2,2-7H3/b13-10+,14-9+.
What are the key properties of (4Z)-4-[(E)-1-fluoroprop-1-enyl]-N,N-dimethyl-3-propan-2-ylhepta-4,6-dien-2-amine?
(4Z)-4-[(E)-1-fluoroprop-1-enyl]-N,N-dimethyl-3-propan-2-ylhepta-4,6-dien-2-amine has a molecular weight of 239.38 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(E)-1-fluoroprop-1-enyl]-N,N-dimethyl-3-propan-2-ylhepta-4,6-dien-2-amine is sourced from PubChem (CID 126490053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).