(4E)-4-fluoro-N,N-dimethyl-3-propan-2-ylidenehepta-4,6-dien-1-amine

C12H20FN — CID 143173582

IUPAC(4E)-4-fluoro-N,N-dimethyl-3-propan-2-ylidenehepta-4,6-dien-1-amine
SMILESC=C/C=C(/F)C(CCN(C)C)=C(C)C
InChIInChI=1S/C12H20FN/c1-6-7-12(13)11(10(2)3)8-9-14(4)5/h6-7H,1,8-9H2,2-5H3/b12-7+
InChIKeyRDDXLUPKJOCCRD-KPKJPENVSA-N
MW197.30 g/mol
LogP3.31
Rot. Bonds5

About (4E)-4-fluoro-N,N-dimethyl-3-propan-2-ylidenehepta-4,6-dien-1-amine

(4E)-4-fluoro-N,N-dimethyl-3-propan-2-ylidenehepta-4,6-dien-1-amine (PubChem CID 143173582) has the molecular formula C12H20FN and a molecular weight of 197.30 g/mol. Its IUPAC name is (4E)-4-fluoro-N,N-dimethyl-3-propan-2-ylidenehepta-4,6-dien-1-amine.

Molecular Properties

Compound Name(4E)-4-fluoro-N,N-dimethyl-3-propan-2-ylidenehepta-4,6-dien-1-amine
PubChem CID143173582
Molecular FormulaC12H20FN
Molecular Weight197.30 g/mol
Exact Mass197.16
IUPAC Name(4E)-4-fluoro-N,N-dimethyl-3-propan-2-ylidenehepta-4,6-dien-1-amine
SMILESC=C/C=C(/F)C(CCN(C)C)=C(C)C
InChIInChI=1S/C12H20FN/c1-6-7-12(13)11(10(2)3)8-9-14(4)5/h6-7H,1,8-9H2,2-5H3/b12-7+
InChIKeyRDDXLUPKJOCCRD-KPKJPENVSA-N
XLogP3.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4E)-4-fluoro-N,N-dimethyl-3-propan-2-ylidenehepta-4,6-dien-1-amine with MolForge

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Launch Full Analysis

Related Compounds

1-Methyl-4-vinyl-1,2,3,6-tetrahydro-pyridine
CID 10036134
Ferrocene, ((dimethylamino)methyl)-
CID 16211226
(N,N-dimethylaminoethyl)cyclopentadiene
CID 12154709
3-cyclopenta-1,3-dien-1-yl-N,N-dimethylpropan-1-amine
CID 12982239
2-(Cyclooctatetraenyl)ethyl-trimethylazanium
CID 91292553
N-butyl-N-ethyl-1-fluorocyclohexa-2,4-dien-1-amine
CID 23123359
1-(3-fluorocyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine
CID 68393518
(5Z,7R)-7-fluoro-1,7-dimethyl-2,3,4,8-tetrahydroazocine
CID 69192057
(2E)-2-[(Z)-3-fluoroprop-1-enyl]-N,N-dimethylpenta-2,4-dien-1-amine
CID 89502908
7-Fluoro-1,5,6-trimethyl-2,3-dihydroazepine
CID 123322899
4-fluoro-N-methyl-N-(3-methylidenepenta-1,4-dienyl)cyclohexa-1,3-dien-1-amine
CID 123679769
6-But-2-en-2-yl-7-fluoro-1,5-dimethyl-2,3-dihydroazepine
CID 123848985

Frequently Asked Questions

What is the IUPAC name of (4E)-4-fluoro-N,N-dimethyl-3-propan-2-ylidenehepta-4,6-dien-1-amine?
The IUPAC name of (4E)-4-fluoro-N,N-dimethyl-3-propan-2-ylidenehepta-4,6-dien-1-amine (CID 143173582) is (4E)-4-fluoro-N,N-dimethyl-3-propan-2-ylidenehepta-4,6-dien-1-amine.
What is the SMILES notation for (4E)-4-fluoro-N,N-dimethyl-3-propan-2-ylidenehepta-4,6-dien-1-amine?
The canonical SMILES for (4E)-4-fluoro-N,N-dimethyl-3-propan-2-ylidenehepta-4,6-dien-1-amine is C=C/C=C(/F)C(CCN(C)C)=C(C)C.
What is the InChIKey of (4E)-4-fluoro-N,N-dimethyl-3-propan-2-ylidenehepta-4,6-dien-1-amine?
The InChIKey is RDDXLUPKJOCCRD-KPKJPENVSA-N. The full InChI is InChI=1S/C12H20FN/c1-6-7-12(13)11(10(2)3)8-9-14(4)5/h6-7H,1,8-9H2,2-5H3/b12-7+.
What are the key properties of (4E)-4-fluoro-N,N-dimethyl-3-propan-2-ylidenehepta-4,6-dien-1-amine?
(4E)-4-fluoro-N,N-dimethyl-3-propan-2-ylidenehepta-4,6-dien-1-amine has a molecular weight of 197.30 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-fluoro-N,N-dimethyl-3-propan-2-ylidenehepta-4,6-dien-1-amine is sourced from PubChem (CID 143173582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).