(3Z)-2-fluoro-N-methyl-5-(1-methylpyrrolidin-3-yl)hexa-1,3,5-trien-3-amine

C12H19FN2 — CID 166158084

IUPAC(3Z)-2-fluoro-N-methyl-5-(1-methylpyrrolidin-3-yl)hexa-1,3,5-trien-3-amine
SMILESC=C(F)/C(=C/C(=C)C1CCN(C)C1)NC
InChIInChI=1S/C12H19FN2/c1-9(7-12(14-3)10(2)13)11-5-6-15(4)8-11/h7,11,14H,1-2,5-6,8H2,3-4H3/b12-7-
InChIKeyDCRPYOHVMYDJAH-GHXNOFRVSA-N
MW210.30 g/mol
LogP2.08
Rot. Bonds4

About (3Z)-2-fluoro-N-methyl-5-(1-methylpyrrolidin-3-yl)hexa-1,3,5-trien-3-amine

(3Z)-2-fluoro-N-methyl-5-(1-methylpyrrolidin-3-yl)hexa-1,3,5-trien-3-amine (PubChem CID 166158084) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is (3Z)-2-fluoro-N-methyl-5-(1-methylpyrrolidin-3-yl)hexa-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3Z)-2-fluoro-N-methyl-5-(1-methylpyrrolidin-3-yl)hexa-1,3,5-trien-3-amine
PubChem CID166158084
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name(3Z)-2-fluoro-N-methyl-5-(1-methylpyrrolidin-3-yl)hexa-1,3,5-trien-3-amine
SMILESC=C(F)/C(=C/C(=C)C1CCN(C)C1)NC
InChIInChI=1S/C12H19FN2/c1-9(7-12(14-3)10(2)13)11-5-6-15(4)8-11/h7,11,14H,1-2,5-6,8H2,3-4H3/b12-7-
InChIKeyDCRPYOHVMYDJAH-GHXNOFRVSA-N
XLogP2.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(3-Fluoro-3-methylpyrrolidin-1-yl)penta-2,4-dien-2-yl]piperidine
CID 123309603
(3Z,5E)-5-fluoro-2-methyl-4-(1-methylpyrrolidin-3-yl)hepta-3,5-dien-2-amine
CID 126490055
2-(2-Fluoropropan-2-yl)-6-prop-1-en-2-yl-1-azabicyclo[3.2.1]octa-2,4-diene
CID 129236268
6-(Pyrrolidin-3-ylmethyl)-4-(trifluoromethyl)-1,2-dihydropyridine
CID 135135231
3,5-Difluoro-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine
CID 135135408
2-Methyl-6-(pyrrolidin-3-ylmethyl)-4-(trifluoromethyl)-1,2-dihydropyridine
CID 135135451
3-Fluoro-5-methyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine
CID 135135496
N-tert-butyl-5-fluoro-6-(1-methylpyrrolidin-3-yl)cyclohepta-1,4,6-trien-1-amine
CID 143181425
(5E)-1-N-ethyl-5-fluoro-1-N,3-dimethyl-4-methylideneocta-5,7-diene-1,7-diamine
CID 145549510
5-fluoro-2,3,3a,4-tetrahydro-1H-indole
CID 150133252
1-[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-3-yl]pyrrolidine
CID 153557606
(4Z,6Z)-N-(2,2-difluoropropyl)-7-methyl-3-methylidene-6-(3-methylpyrrolidin-1-yl)nona-1,4,6-trien-2-amine
CID 155001776

Frequently Asked Questions

What is the IUPAC name of (3Z)-2-fluoro-N-methyl-5-(1-methylpyrrolidin-3-yl)hexa-1,3,5-trien-3-amine?
The IUPAC name of (3Z)-2-fluoro-N-methyl-5-(1-methylpyrrolidin-3-yl)hexa-1,3,5-trien-3-amine (CID 166158084) is (3Z)-2-fluoro-N-methyl-5-(1-methylpyrrolidin-3-yl)hexa-1,3,5-trien-3-amine.
What is the SMILES notation for (3Z)-2-fluoro-N-methyl-5-(1-methylpyrrolidin-3-yl)hexa-1,3,5-trien-3-amine?
The canonical SMILES for (3Z)-2-fluoro-N-methyl-5-(1-methylpyrrolidin-3-yl)hexa-1,3,5-trien-3-amine is C=C(F)/C(=C/C(=C)C1CCN(C)C1)NC.
What is the InChIKey of (3Z)-2-fluoro-N-methyl-5-(1-methylpyrrolidin-3-yl)hexa-1,3,5-trien-3-amine?
The InChIKey is DCRPYOHVMYDJAH-GHXNOFRVSA-N. The full InChI is InChI=1S/C12H19FN2/c1-9(7-12(14-3)10(2)13)11-5-6-15(4)8-11/h7,11,14H,1-2,5-6,8H2,3-4H3/b12-7-.
What are the key properties of (3Z)-2-fluoro-N-methyl-5-(1-methylpyrrolidin-3-yl)hexa-1,3,5-trien-3-amine?
(3Z)-2-fluoro-N-methyl-5-(1-methylpyrrolidin-3-yl)hexa-1,3,5-trien-3-amine has a molecular weight of 210.30 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-fluoro-N-methyl-5-(1-methylpyrrolidin-3-yl)hexa-1,3,5-trien-3-amine is sourced from PubChem (CID 166158084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).