(2Z,4E)-N-ethenyl-5-fluoro-3-propan-2-ylhexa-2,4-dien-2-amine

C11H18FN — CID 134533169

IUPAC(2Z,4E)-N-ethenyl-5-fluoro-3-propan-2-ylhexa-2,4-dien-2-amine
SMILESC=CN/C(C)=C(\C=C(/C)F)C(C)C
InChIInChI=1S/C11H18FN/c1-6-13-10(5)11(8(2)3)7-9(4)12/h6-8,13H,1H2,2-5H3/b9-7+,11-10+
InChIKeyHNQRCDRNZKJZBF-RJECPTDASA-N
MW183.27 g/mol
LogP3.52
Rot. Bonds4

About (2Z,4E)-N-ethenyl-5-fluoro-3-propan-2-ylhexa-2,4-dien-2-amine

(2Z,4E)-N-ethenyl-5-fluoro-3-propan-2-ylhexa-2,4-dien-2-amine (PubChem CID 134533169) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is (2Z,4E)-N-ethenyl-5-fluoro-3-propan-2-ylhexa-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z,4E)-N-ethenyl-5-fluoro-3-propan-2-ylhexa-2,4-dien-2-amine
PubChem CID134533169
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name(2Z,4E)-N-ethenyl-5-fluoro-3-propan-2-ylhexa-2,4-dien-2-amine
SMILESC=CN/C(C)=C(\C=C(/C)F)C(C)C
InChIInChI=1S/C11H18FN/c1-6-13-10(5)11(8(2)3)7-9(4)12/h6-8,13H,1H2,2-5H3/b9-7+,11-10+
InChIKeyHNQRCDRNZKJZBF-RJECPTDASA-N
XLogP3.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z,4E)-N-ethenyl-5-fluoro-3-propan-2-ylhexa-2,4-dien-2-amine with MolForge

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Launch Full Analysis

Related Compounds

2,3-Dimethyl-1,4-Azepin
CID 21560535
4-[(4R)-2-fluoro-4-methylcyclohexa-1,5-dien-1-yl]-1,2-dihydropyridine
CID 118657074
(2Z,4E)-4-fluoro-6-methyl-N-(3-methylpent-1-enyl)octa-2,4-dien-1-amine
CID 126583190
(4Z,6Z)-N-(2,2-dimethylpropyl)-9-fluoro-9-methyldeca-1,4,6-trien-2-amine
CID 126586946
(2E,4Z)-2-fluoro-N-methyl-4-propan-2-ylhepta-2,4,6-trien-1-amine
CID 129146420
(Z)-N-(1-fluoroprop-2-enyl)-5-methylhex-2-en-2-amine
CID 130233741
5-(difluoromethyl)-N-ethenyl-4-ethylcyclohexa-1,5-dien-1-amine
CID 130321083
(2E,4E)-N-ethenyl-5-fluoro-6-methylhepta-2,4,6-trien-2-amine
CID 130321519
2-Fluoro-6-methyl-4-propan-2-yl-1,2-dihydropyridine
CID 134243659
(Z,3Z)-7-fluoro-7-methyl-N-prop-1-en-2-yl-3-prop-2-enylideneoct-4-en-1-amine
CID 134302585
3,5-difluoro-N-[(2E,4E,6Z)-5-propan-2-ylocta-2,4,6-trien-3-yl]cyclohexa-2,4-dien-1-amine
CID 134406911
N-[(Z)-5-fluorohex-3-enyl]-4-methylcyclopenta-1,3-dien-1-amine
CID 134466184

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-N-ethenyl-5-fluoro-3-propan-2-ylhexa-2,4-dien-2-amine?
The IUPAC name of (2Z,4E)-N-ethenyl-5-fluoro-3-propan-2-ylhexa-2,4-dien-2-amine (CID 134533169) is (2Z,4E)-N-ethenyl-5-fluoro-3-propan-2-ylhexa-2,4-dien-2-amine.
What is the SMILES notation for (2Z,4E)-N-ethenyl-5-fluoro-3-propan-2-ylhexa-2,4-dien-2-amine?
The canonical SMILES for (2Z,4E)-N-ethenyl-5-fluoro-3-propan-2-ylhexa-2,4-dien-2-amine is C=CN/C(C)=C(\C=C(/C)F)C(C)C.
What is the InChIKey of (2Z,4E)-N-ethenyl-5-fluoro-3-propan-2-ylhexa-2,4-dien-2-amine?
The InChIKey is HNQRCDRNZKJZBF-RJECPTDASA-N. The full InChI is InChI=1S/C11H18FN/c1-6-13-10(5)11(8(2)3)7-9(4)12/h6-8,13H,1H2,2-5H3/b9-7+,11-10+.
What are the key properties of (2Z,4E)-N-ethenyl-5-fluoro-3-propan-2-ylhexa-2,4-dien-2-amine?
(2Z,4E)-N-ethenyl-5-fluoro-3-propan-2-ylhexa-2,4-dien-2-amine has a molecular weight of 183.27 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-N-ethenyl-5-fluoro-3-propan-2-ylhexa-2,4-dien-2-amine is sourced from PubChem (CID 134533169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).