(2Z)-2-ethenyl-3-fluoro-N-methyl-N-[(1Z)-2-methylbuta-1,3-dienyl]penta-2,4-dien-1-amine

C13H18FN — CID 143620135

IUPAC(2Z)-2-ethenyl-3-fluoro-N-methyl-N-[(1Z)-2-methylbuta-1,3-dienyl]penta-2,4-dien-1-amine
SMILESC=C/C(C)=C\N(C)C/C(C=C)=C(\F)C=C
InChIInChI=1S/C13H18FN/c1-6-11(4)9-15(5)10-12(7-2)13(14)8-3/h6-9H,1-3,10H2,4-5H3/b11-9-,13-12-
InChIKeyBERMWECOLMCBML-KBMMCUQCSA-N
MW207.29 g/mol
LogP3.60
Rot. Bonds6

About (2Z)-2-ethenyl-3-fluoro-N-methyl-N-[(1Z)-2-methylbuta-1,3-dienyl]penta-2,4-dien-1-amine

(2Z)-2-ethenyl-3-fluoro-N-methyl-N-[(1Z)-2-methylbuta-1,3-dienyl]penta-2,4-dien-1-amine (PubChem CID 143620135) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is (2Z)-2-ethenyl-3-fluoro-N-methyl-N-[(1Z)-2-methylbuta-1,3-dienyl]penta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z)-2-ethenyl-3-fluoro-N-methyl-N-[(1Z)-2-methylbuta-1,3-dienyl]penta-2,4-dien-1-amine
PubChem CID143620135
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name(2Z)-2-ethenyl-3-fluoro-N-methyl-N-[(1Z)-2-methylbuta-1,3-dienyl]penta-2,4-dien-1-amine
SMILESC=C/C(C)=C\N(C)C/C(C=C)=C(\F)C=C
InChIInChI=1S/C13H18FN/c1-6-11(4)9-15(5)10-12(7-2)13(14)8-3/h6-9H,1-3,10H2,4-5H3/b11-9-,13-12-
InChIKeyBERMWECOLMCBML-KBMMCUQCSA-N
XLogP3.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z)-2-ethenyl-3-fluoro-N-methyl-N-[(1Z)-2-methylbuta-1,3-dienyl]penta-2,4-dien-1-amine with MolForge

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Launch Full Analysis

Related Compounds

N-butyl-4-methylpyridine
CID 20650803
n-Methyl-4-vinylpyridine
CID 22463631
(1Z)-2-ethyl-N-methyl-N-(3,3,3-trifluoropropyl)buta-1,3-dien-1-amine
CID 88543641
(2E)-2-[(Z)-3-fluoroprop-1-enyl]-N,N-dimethylpenta-2,4-dien-1-amine
CID 89502908
(1E,3E)-N,N-dimethyl-3-(trifluoromethyl)hexa-1,3,5-trien-1-amine
CID 129195925
(3Z,5Z)-N-ethenyl-3-fluoro-N,5-dimethyl-8-methylidenedeca-3,5,9-trien-4-amine
CID 138564061
(2Z,3E)-2-ethylidene-3-fluoro-N,N-dimethylhexa-3,5-dien-1-amine
CID 138737220
(2S)-2-fluoro-1,5-dimethyl-2H-pyridine
CID 139376151
(2E,5Z)-7-fluoro-N,N,3-trimethyl-4-methylideneocta-2,5,7-trien-1-amine
CID 143782117
N'-[(2Z)-2-ethenyl-3-fluoro-5-methylhexa-2,4-dienyl]-N'-ethyl-N,N-dimethylethane-1,2-diamine
CID 144309589
(3E,5Z)-N-butyl-3-fluoro-N-methyl-2-methylidenehepta-3,5-dien-1-amine
CID 144347511
(2E,4E)-N-ethyl-N,2-dimethyl-5-(trifluoromethyl)hepta-2,4,6-trien-1-amine
CID 145642964

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-ethenyl-3-fluoro-N-methyl-N-[(1Z)-2-methylbuta-1,3-dienyl]penta-2,4-dien-1-amine?
The IUPAC name of (2Z)-2-ethenyl-3-fluoro-N-methyl-N-[(1Z)-2-methylbuta-1,3-dienyl]penta-2,4-dien-1-amine (CID 143620135) is (2Z)-2-ethenyl-3-fluoro-N-methyl-N-[(1Z)-2-methylbuta-1,3-dienyl]penta-2,4-dien-1-amine.
What is the SMILES notation for (2Z)-2-ethenyl-3-fluoro-N-methyl-N-[(1Z)-2-methylbuta-1,3-dienyl]penta-2,4-dien-1-amine?
The canonical SMILES for (2Z)-2-ethenyl-3-fluoro-N-methyl-N-[(1Z)-2-methylbuta-1,3-dienyl]penta-2,4-dien-1-amine is C=C/C(C)=C\N(C)C/C(C=C)=C(\F)C=C.
What is the InChIKey of (2Z)-2-ethenyl-3-fluoro-N-methyl-N-[(1Z)-2-methylbuta-1,3-dienyl]penta-2,4-dien-1-amine?
The InChIKey is BERMWECOLMCBML-KBMMCUQCSA-N. The full InChI is InChI=1S/C13H18FN/c1-6-11(4)9-15(5)10-12(7-2)13(14)8-3/h6-9H,1-3,10H2,4-5H3/b11-9-,13-12-.
What are the key properties of (2Z)-2-ethenyl-3-fluoro-N-methyl-N-[(1Z)-2-methylbuta-1,3-dienyl]penta-2,4-dien-1-amine?
(2Z)-2-ethenyl-3-fluoro-N-methyl-N-[(1Z)-2-methylbuta-1,3-dienyl]penta-2,4-dien-1-amine has a molecular weight of 207.29 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-ethenyl-3-fluoro-N-methyl-N-[(1Z)-2-methylbuta-1,3-dienyl]penta-2,4-dien-1-amine is sourced from PubChem (CID 143620135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).