(2Z)-2-(1-fluoroethenyl)-N-methyl-N-propan-2-ylpenta-2,4-dien-1-amine

C11H18FN — CID 176657757

IUPAC(2Z)-2-(1-fluoroethenyl)-N-methyl-N-propan-2-ylpenta-2,4-dien-1-amine
SMILESC=C/C=C(/CN(C)C(C)C)C(=C)F
InChIInChI=1S/C11H18FN/c1-6-7-11(10(4)12)8-13(5)9(2)3/h6-7,9H,1,4,8H2,2-3,5H3/b11-7-
InChIKeyIDGVUZRZEAPROX-XFFZJAGNSA-N
MW183.27 g/mol
LogP2.92
Rot. Bonds5

About (2Z)-2-(1-fluoroethenyl)-N-methyl-N-propan-2-ylpenta-2,4-dien-1-amine

(2Z)-2-(1-fluoroethenyl)-N-methyl-N-propan-2-ylpenta-2,4-dien-1-amine (PubChem CID 176657757) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is (2Z)-2-(1-fluoroethenyl)-N-methyl-N-propan-2-ylpenta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z)-2-(1-fluoroethenyl)-N-methyl-N-propan-2-ylpenta-2,4-dien-1-amine
PubChem CID176657757
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name(2Z)-2-(1-fluoroethenyl)-N-methyl-N-propan-2-ylpenta-2,4-dien-1-amine
SMILESC=C/C=C(/CN(C)C(C)C)C(=C)F
InChIInChI=1S/C11H18FN/c1-6-7-11(10(4)12)8-13(5)9(2)3/h6-7,9H,1,4,8H2,2-3,5H3/b11-7-
InChIKeyIDGVUZRZEAPROX-XFFZJAGNSA-N
XLogP2.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

4-cyclohexa-1,5-dien-1-yl-N,N-diethyl-2-fluorocyclohexa-2,4-dien-1-amine
CID 69078269
(2Z)-3-fluoro-N,2-dimethyl-N-propylpenta-2,4-dien-1-amine
CID 88582368
(2E)-2-[(Z)-3-fluoroprop-1-enyl]-N,N-dimethylpenta-2,4-dien-1-amine
CID 89502908
2-ethenyl-N-prop-2-enyl-N-(1,1,1-trifluorobut-3-yn-2-yl)but-2-en-1-amine
CID 91611787
3-fluoro-N,2-dimethyl-N-propylpenta-2,4-dien-1-amine
CID 123329761
(3E,5Z)-N-but-3-enyl-6-fluoro-N-methylhexa-1,3,5-trien-2-amine
CID 124175129
(1E,3E)-N-but-3-en-2-yl-1-fluoro-N-methylpenta-1,3-dien-1-amine
CID 129055567
N-(2-fluorobutan-2-yl)-N-(1-fluoroethyl)-2-methylidenebut-3-en-1-amine
CID 134177635
(2Z,3E)-2-ethylidene-3-fluoro-N,N-dimethylhexa-3,5-dien-1-amine
CID 138737220
(2E,4E)-2-ethenyl-N-(2-fluoroethyl)-N,5,6-trimethylhepta-2,4-dien-1-amine
CID 142309239
(2Z)-2-(1-fluoroethenyl)-N-propan-2-ylpenta-2,4-dien-1-amine
CID 142464980
N'-[(2Z)-2-ethenyl-3-fluoro-5-methylhexa-2,4-dienyl]-N'-ethyl-N,N-dimethylethane-1,2-diamine
CID 144309589

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(1-fluoroethenyl)-N-methyl-N-propan-2-ylpenta-2,4-dien-1-amine?
The IUPAC name of (2Z)-2-(1-fluoroethenyl)-N-methyl-N-propan-2-ylpenta-2,4-dien-1-amine (CID 176657757) is (2Z)-2-(1-fluoroethenyl)-N-methyl-N-propan-2-ylpenta-2,4-dien-1-amine.
What is the SMILES notation for (2Z)-2-(1-fluoroethenyl)-N-methyl-N-propan-2-ylpenta-2,4-dien-1-amine?
The canonical SMILES for (2Z)-2-(1-fluoroethenyl)-N-methyl-N-propan-2-ylpenta-2,4-dien-1-amine is C=C/C=C(/CN(C)C(C)C)C(=C)F.
What is the InChIKey of (2Z)-2-(1-fluoroethenyl)-N-methyl-N-propan-2-ylpenta-2,4-dien-1-amine?
The InChIKey is IDGVUZRZEAPROX-XFFZJAGNSA-N. The full InChI is InChI=1S/C11H18FN/c1-6-7-11(10(4)12)8-13(5)9(2)3/h6-7,9H,1,4,8H2,2-3,5H3/b11-7-.
What are the key properties of (2Z)-2-(1-fluoroethenyl)-N-methyl-N-propan-2-ylpenta-2,4-dien-1-amine?
(2Z)-2-(1-fluoroethenyl)-N-methyl-N-propan-2-ylpenta-2,4-dien-1-amine has a molecular weight of 183.27 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(1-fluoroethenyl)-N-methyl-N-propan-2-ylpenta-2,4-dien-1-amine is sourced from PubChem (CID 176657757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).