(3E,4E)-N-fluoro-N,5-dimethyl-3-propylidenehepta-1,4-dien-2-amine

C12H20FN — CID 155001788

IUPAC(3E,4E)-N-fluoro-N,5-dimethyl-3-propylidenehepta-1,4-dien-2-amine
SMILESC=C(C(/C=C(\C)CC)=C/CC)N(C)F
InChIInChI=1S/C12H20FN/c1-6-8-12(9-10(3)7-2)11(4)14(5)13/h8-9H,4,6-7H2,1-3,5H3/b10-9+,12-8+
InChIKeyZIJGMYCQXAMSAI-RSPOHRJYSA-N
MW197.30 g/mol
LogP4.01
Rot. Bonds5

About (3E,4E)-N-fluoro-N,5-dimethyl-3-propylidenehepta-1,4-dien-2-amine

(3E,4E)-N-fluoro-N,5-dimethyl-3-propylidenehepta-1,4-dien-2-amine (PubChem CID 155001788) has the molecular formula C12H20FN and a molecular weight of 197.30 g/mol. Its IUPAC name is (3E,4E)-N-fluoro-N,5-dimethyl-3-propylidenehepta-1,4-dien-2-amine.

Molecular Properties

Compound Name(3E,4E)-N-fluoro-N,5-dimethyl-3-propylidenehepta-1,4-dien-2-amine
PubChem CID155001788
Molecular FormulaC12H20FN
Molecular Weight197.30 g/mol
Exact Mass197.16
IUPAC Name(3E,4E)-N-fluoro-N,5-dimethyl-3-propylidenehepta-1,4-dien-2-amine
SMILESC=C(C(/C=C(\C)CC)=C/CC)N(C)F
InChIInChI=1S/C12H20FN/c1-6-8-12(9-10(3)7-2)11(4)14(5)13/h8-9H,4,6-7H2,1-3,5H3/b10-9+,12-8+
InChIKeyZIJGMYCQXAMSAI-RSPOHRJYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E,4E)-N-fluoro-N,5-dimethyl-3-propylidenehepta-1,4-dien-2-amine with MolForge

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Launch Full Analysis

Related Compounds

Dimethylaminofulvene
CID 90007951
1-fluoro-4,5,6-trimethyl-2H-pyridine
CID 87450917
1-fluoro-2,4,6-trimethyl-2H-pyridine
CID 87450919
N,N,3-trimethyl-6-(trifluoromethyl)deca-2,4,6-trien-4-amine
CID 123265710
N-fluoro-N,2,4-trimethylpenta-1,3-dien-3-amine
CID 139341424
1-fluoro-1,4,6-trimethyl-2H-pyridin-1-ium
CID 141175474
(3E,5Z)-N-fluoro-N-methylocta-1,3,5-trien-3-amine
CID 141779060
(2E,3E)-3-(1-fluoroethylidene)-1,5-dimethyl-2-propylidenepyrrole
CID 144831865
1-fluoro-4,6-dimethyl-2H-pyridine
CID 152148323
N-[1-(4-fluorocyclobuta-1,3-dien-1-yl)ethenyl]-N,3-dimethylbut-1-en-2-amine
CID 164023493
(2E,3Z)-3-ethylidene-2-(2-fluoroprop-2-enylidene)-1,5-dimethylpyrrole
CID 167047016
(2E,4Z)-N-fluoro-N,5,6-trimethylhepta-2,4,6-trien-2-amine
CID 170279801

Frequently Asked Questions

What is the IUPAC name of (3E,4E)-N-fluoro-N,5-dimethyl-3-propylidenehepta-1,4-dien-2-amine?
The IUPAC name of (3E,4E)-N-fluoro-N,5-dimethyl-3-propylidenehepta-1,4-dien-2-amine (CID 155001788) is (3E,4E)-N-fluoro-N,5-dimethyl-3-propylidenehepta-1,4-dien-2-amine.
What is the SMILES notation for (3E,4E)-N-fluoro-N,5-dimethyl-3-propylidenehepta-1,4-dien-2-amine?
The canonical SMILES for (3E,4E)-N-fluoro-N,5-dimethyl-3-propylidenehepta-1,4-dien-2-amine is C=C(C(/C=C(\C)CC)=C/CC)N(C)F.
What is the InChIKey of (3E,4E)-N-fluoro-N,5-dimethyl-3-propylidenehepta-1,4-dien-2-amine?
The InChIKey is ZIJGMYCQXAMSAI-RSPOHRJYSA-N. The full InChI is InChI=1S/C12H20FN/c1-6-8-12(9-10(3)7-2)11(4)14(5)13/h8-9H,4,6-7H2,1-3,5H3/b10-9+,12-8+.
What are the key properties of (3E,4E)-N-fluoro-N,5-dimethyl-3-propylidenehepta-1,4-dien-2-amine?
(3E,4E)-N-fluoro-N,5-dimethyl-3-propylidenehepta-1,4-dien-2-amine has a molecular weight of 197.30 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4E)-N-fluoro-N,5-dimethyl-3-propylidenehepta-1,4-dien-2-amine is sourced from PubChem (CID 155001788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).