(E)-2-[(Z)-3-fluoroprop-1-enyl]-N-methylpent-2-en-1-amine

C9H16FN — CID 142956656

IUPAC(E)-2-[(Z)-3-fluoroprop-1-enyl]-N-methylpent-2-en-1-amine
SMILESCC/C=C(\C=C/CF)CNC
InChIInChI=1S/C9H16FN/c1-3-5-9(8-11-2)6-4-7-10/h4-6,11H,3,7-8H2,1-2H3/b6-4-,9-5+
InChIKeySSVAMLMVLHKZBB-QUNSIMLLSA-N
MW157.23 g/mol
LogP2.07
Rot. Bonds5

About (E)-2-[(Z)-3-fluoroprop-1-enyl]-N-methylpent-2-en-1-amine

(E)-2-[(Z)-3-fluoroprop-1-enyl]-N-methylpent-2-en-1-amine (PubChem CID 142956656) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is (E)-2-[(Z)-3-fluoroprop-1-enyl]-N-methylpent-2-en-1-amine.

Molecular Properties

Compound Name(E)-2-[(Z)-3-fluoroprop-1-enyl]-N-methylpent-2-en-1-amine
PubChem CID142956656
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name(E)-2-[(Z)-3-fluoroprop-1-enyl]-N-methylpent-2-en-1-amine
SMILESCC/C=C(\C=C/CF)CNC
InChIInChI=1S/C9H16FN/c1-3-5-9(8-11-2)6-4-7-10/h4-6,11H,3,7-8H2,1-2H3/b6-4-,9-5+
InChIKeySSVAMLMVLHKZBB-QUNSIMLLSA-N
XLogP2.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylmethanamine
CID 70372203
(2E,3E)-2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
CID 88224148
(2E,4E)-5-fluoro-4-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine
CID 88267041
(3Z,5E)-6-fluoro-N,2-dimethylocta-3,5,7-trien-1-amine
CID 88267348
2-(2-fluorocyclohexa-1,5-dien-1-yl)-N-methylethanamine
CID 89035224
(2E,4E)-5-fluoro-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine
CID 89084822
(Z)-5-fluoro-2-methylidenehept-3-en-1-amine
CID 89090828
(E)-2-ethenyl-5-fluorohex-2-en-1-amine
CID 89126655
(3Z)-N-(2-fluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
CID 89153630
5-[(1E)-2-fluorobuta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine
CID 89167830
(2E)-2-[(Z)-but-2-en-2-yl]-N-methyl-4-(trifluoromethyl)penta-2,4-dien-1-amine
CID 89228068
(2E)-2-[(Z)-3-fluoroprop-1-enyl]-N,N-dimethylpenta-2,4-dien-1-amine
CID 89502908

Frequently Asked Questions

What is the IUPAC name of (E)-2-[(Z)-3-fluoroprop-1-enyl]-N-methylpent-2-en-1-amine?
The IUPAC name of (E)-2-[(Z)-3-fluoroprop-1-enyl]-N-methylpent-2-en-1-amine (CID 142956656) is (E)-2-[(Z)-3-fluoroprop-1-enyl]-N-methylpent-2-en-1-amine.
What is the SMILES notation for (E)-2-[(Z)-3-fluoroprop-1-enyl]-N-methylpent-2-en-1-amine?
The canonical SMILES for (E)-2-[(Z)-3-fluoroprop-1-enyl]-N-methylpent-2-en-1-amine is CC/C=C(\C=C/CF)CNC.
What is the InChIKey of (E)-2-[(Z)-3-fluoroprop-1-enyl]-N-methylpent-2-en-1-amine?
The InChIKey is SSVAMLMVLHKZBB-QUNSIMLLSA-N. The full InChI is InChI=1S/C9H16FN/c1-3-5-9(8-11-2)6-4-7-10/h4-6,11H,3,7-8H2,1-2H3/b6-4-,9-5+.
What are the key properties of (E)-2-[(Z)-3-fluoroprop-1-enyl]-N-methylpent-2-en-1-amine?
(E)-2-[(Z)-3-fluoroprop-1-enyl]-N-methylpent-2-en-1-amine has a molecular weight of 157.23 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[(Z)-3-fluoroprop-1-enyl]-N-methylpent-2-en-1-amine is sourced from PubChem (CID 142956656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).