(3E)-3-ethenyl-4-fluoro-N-propan-2-ylhexa-3,5-dien-1-amine

C11H18FN — CID 142256508

IUPAC(3E)-3-ethenyl-4-fluoro-N-propan-2-ylhexa-3,5-dien-1-amine
SMILESC=C/C(F)=C(\C=C)CCNC(C)C
InChIInChI=1S/C11H18FN/c1-5-10(11(12)6-2)7-8-13-9(3)4/h5-6,9,13H,1-2,7-8H2,3-4H3/b11-10-
InChIKeyWOZVKMFPNNLKRB-KHPPLWFESA-N
MW183.27 g/mol
LogP2.97
Rot. Bonds6

About (3E)-3-ethenyl-4-fluoro-N-propan-2-ylhexa-3,5-dien-1-amine

(3E)-3-ethenyl-4-fluoro-N-propan-2-ylhexa-3,5-dien-1-amine (PubChem CID 142256508) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is (3E)-3-ethenyl-4-fluoro-N-propan-2-ylhexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(3E)-3-ethenyl-4-fluoro-N-propan-2-ylhexa-3,5-dien-1-amine
PubChem CID142256508
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name(3E)-3-ethenyl-4-fluoro-N-propan-2-ylhexa-3,5-dien-1-amine
SMILESC=C/C(F)=C(\C=C)CCNC(C)C
InChIInChI=1S/C11H18FN/c1-5-10(11(12)6-2)7-8-13-9(3)4/h5-6,9,13H,1-2,7-8H2,3-4H3/b11-10-
InChIKeyWOZVKMFPNNLKRB-KHPPLWFESA-N
XLogP2.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E)-3-ethenyl-4-fluoro-N-propan-2-ylhexa-3,5-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Methyl-N-(prop-2-en-1-yl)hept-5-en-2-amine
CID 20850
6-Methyl-2-propylamino-5-heptene
CID 12541942
2-(2-fluorocyclohexa-1,5-dien-1-yl)-N-methylethanamine
CID 89035224
(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
(4E)-N-butyl-4-[(Z)-prop-1-enyl]-5-(trifluoromethyl)hepta-4,6-dien-1-amine
CID 89320137
(E,2R)-4-fluoro-N-methyl-3-methylidenehex-4-en-2-amine
CID 117854387
N-(2,2-difluoroethyl)-6-methylhept-5-en-2-amine
CID 121451140
6-methyl-N-(2,2,2-trifluoroethyl)hept-5-en-2-amine
CID 121451147
N-[(2E,3Z,6Z)-2-[(E)-4-fluoropent-3-enylidene]-5-methylideneocta-3,6-dienyl]cyclobutanamine
CID 126583169
(E)-N-ethyl-7,7,7-trifluoro-6-methyl-4-methylidenehept-5-en-2-amine
CID 129302973
(4Z,5Z)-4-ethylidene-1-fluoro-7-methylocta-5,7-dien-2-amine
CID 129313467

Frequently Asked Questions

What is the IUPAC name of (3E)-3-ethenyl-4-fluoro-N-propan-2-ylhexa-3,5-dien-1-amine?
The IUPAC name of (3E)-3-ethenyl-4-fluoro-N-propan-2-ylhexa-3,5-dien-1-amine (CID 142256508) is (3E)-3-ethenyl-4-fluoro-N-propan-2-ylhexa-3,5-dien-1-amine.
What is the SMILES notation for (3E)-3-ethenyl-4-fluoro-N-propan-2-ylhexa-3,5-dien-1-amine?
The canonical SMILES for (3E)-3-ethenyl-4-fluoro-N-propan-2-ylhexa-3,5-dien-1-amine is C=C/C(F)=C(\C=C)CCNC(C)C.
What is the InChIKey of (3E)-3-ethenyl-4-fluoro-N-propan-2-ylhexa-3,5-dien-1-amine?
The InChIKey is WOZVKMFPNNLKRB-KHPPLWFESA-N. The full InChI is InChI=1S/C11H18FN/c1-5-10(11(12)6-2)7-8-13-9(3)4/h5-6,9,13H,1-2,7-8H2,3-4H3/b11-10-.
What are the key properties of (3E)-3-ethenyl-4-fluoro-N-propan-2-ylhexa-3,5-dien-1-amine?
(3E)-3-ethenyl-4-fluoro-N-propan-2-ylhexa-3,5-dien-1-amine has a molecular weight of 183.27 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-ethenyl-4-fluoro-N-propan-2-ylhexa-3,5-dien-1-amine is sourced from PubChem (CID 142256508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).