(1Z,3Z)-N-ethyl-1-fluoro-N-methyl-3-propan-2-ylpenta-1,3-dien-2-amine

C11H20FN — CID 163475037

IUPAC(1Z,3Z)-N-ethyl-1-fluoro-N-methyl-3-propan-2-ylpenta-1,3-dien-2-amine
SMILESC/C=C(C(=C\F)\N(C)CC)/C(C)C
InChIInChI=1S/C11H20FN/c1-6-10(9(3)4)11(8-12)13(5)7-2/h6,8-9H,7H2,1-5H3/b10-6-,11-8-
InChIKeyBZSRFXVSXITYFQ-XNFNPUBGSA-N
MW185.29 g/mol
LogP3.35
Rot. Bonds4

About (1Z,3Z)-N-ethyl-1-fluoro-N-methyl-3-propan-2-ylpenta-1,3-dien-2-amine

(1Z,3Z)-N-ethyl-1-fluoro-N-methyl-3-propan-2-ylpenta-1,3-dien-2-amine (PubChem CID 163475037) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is (1Z,3Z)-N-ethyl-1-fluoro-N-methyl-3-propan-2-ylpenta-1,3-dien-2-amine.

Molecular Properties

Compound Name(1Z,3Z)-N-ethyl-1-fluoro-N-methyl-3-propan-2-ylpenta-1,3-dien-2-amine
PubChem CID163475037
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name(1Z,3Z)-N-ethyl-1-fluoro-N-methyl-3-propan-2-ylpenta-1,3-dien-2-amine
SMILESC/C=C(C(=C\F)\N(C)CC)/C(C)C
InChIInChI=1S/C11H20FN/c1-6-10(9(3)4)11(8-12)13(5)7-2/h6,8-9H,7H2,1-5H3/b10-6-,11-8-
InChIKeyBZSRFXVSXITYFQ-XNFNPUBGSA-N
XLogP3.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1Z,3Z)-N-ethyl-1-fluoro-N-methyl-3-propan-2-ylpenta-1,3-dien-2-amine with MolForge

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Launch Full Analysis

Related Compounds

1-(5-Fluoro-4-methylcyclohexa-1,5-dien-1-yl)azetidine
CID 89167050
(3Z,5E,8Z)-5-fluoro-1,8-dimethyl-2-methylidene-1-azacycloundeca-3,5,8-triene
CID 89299112
(3R)-1-(3,5-difluoro-4-methylcyclohexa-1,5-dien-1-yl)-3-fluoropyrrolidine
CID 118618026
N,N,3-trimethyl-6-(trifluoromethyl)deca-2,4,6-trien-4-amine
CID 123265710
N-(1-cyclopropylideneethyl)-N-[2-(2-fluorocyclohexa-1,5-dien-1-yl)ethyl]hexa-2,4-dien-3-amine
CID 123404943
2-N-(2-fluoroethyl)-2-N-hexa-3,5-dien-3-yl-6-N,6-N,3-trimethylhepta-1,3,5-triene-2,6-diamine
CID 123501893
N,N,N'-trimethyl-N'-[6-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethane-1,2-diamine
CID 123566839
6-(4-fluoropent-2-enylidene)-N,N-dimethylcyclohexa-1,3-dien-1-amine
CID 123629047
4-fluoro-N-methyl-N-(3-methylidenepenta-1,4-dienyl)cyclohexa-1,3-dien-1-amine
CID 123679769
5-Fluoro-1-(3-methylbut-2-en-2-yl)-2-methylidene-3-propylpyridine
CID 129083998
6-(2,4-difluoro-6-pent-2-enylcyclohexa-1,3-dien-1-yl)-1-pent-2-enyl-2H-pyridine
CID 129156390
2-(2-Fluoropropan-2-yl)-6-prop-1-en-2-yl-1-azabicyclo[3.2.1]octa-2,4-diene
CID 129236268

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-N-ethyl-1-fluoro-N-methyl-3-propan-2-ylpenta-1,3-dien-2-amine?
The IUPAC name of (1Z,3Z)-N-ethyl-1-fluoro-N-methyl-3-propan-2-ylpenta-1,3-dien-2-amine (CID 163475037) is (1Z,3Z)-N-ethyl-1-fluoro-N-methyl-3-propan-2-ylpenta-1,3-dien-2-amine.
What is the SMILES notation for (1Z,3Z)-N-ethyl-1-fluoro-N-methyl-3-propan-2-ylpenta-1,3-dien-2-amine?
The canonical SMILES for (1Z,3Z)-N-ethyl-1-fluoro-N-methyl-3-propan-2-ylpenta-1,3-dien-2-amine is C/C=C(C(=C\F)\N(C)CC)/C(C)C.
What is the InChIKey of (1Z,3Z)-N-ethyl-1-fluoro-N-methyl-3-propan-2-ylpenta-1,3-dien-2-amine?
The InChIKey is BZSRFXVSXITYFQ-XNFNPUBGSA-N. The full InChI is InChI=1S/C11H20FN/c1-6-10(9(3)4)11(8-12)13(5)7-2/h6,8-9H,7H2,1-5H3/b10-6-,11-8-.
What are the key properties of (1Z,3Z)-N-ethyl-1-fluoro-N-methyl-3-propan-2-ylpenta-1,3-dien-2-amine?
(1Z,3Z)-N-ethyl-1-fluoro-N-methyl-3-propan-2-ylpenta-1,3-dien-2-amine has a molecular weight of 185.29 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-N-ethyl-1-fluoro-N-methyl-3-propan-2-ylpenta-1,3-dien-2-amine is sourced from PubChem (CID 163475037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).