(Z)-1-[2-(difluoromethyl)-4-methyl-3,5-dihydro-2H-pyrazin-6-yl]-4-methylpent-1-en-2-amine

C12H21F2N3 — CID 156637603

IUPAC(Z)-1-[2-(difluoromethyl)-4-methyl-3,5-dihydro-2H-pyrazin-6-yl]-4-methylpent-1-en-2-amine
SMILESCC(C)C/C(N)=C/C1=NC(C(F)F)CN(C)C1
InChIInChI=1S/C12H21F2N3/c1-8(2)4-9(15)5-10-6-17(3)7-11(16-10)12(13)14/h5,8,11-12H,4,6-7,15H2,1-3H3/b9-5-
InChIKeyLWVGTINWJYPMIE-UITAMQMPSA-N
MW245.32 g/mol
LogP1.90
Rot. Bonds4

About (Z)-1-[2-(difluoromethyl)-4-methyl-3,5-dihydro-2H-pyrazin-6-yl]-4-methylpent-1-en-2-amine

(Z)-1-[2-(difluoromethyl)-4-methyl-3,5-dihydro-2H-pyrazin-6-yl]-4-methylpent-1-en-2-amine (PubChem CID 156637603) has the molecular formula C12H21F2N3 and a molecular weight of 245.32 g/mol. Its IUPAC name is (Z)-1-[2-(difluoromethyl)-4-methyl-3,5-dihydro-2H-pyrazin-6-yl]-4-methylpent-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-[2-(difluoromethyl)-4-methyl-3,5-dihydro-2H-pyrazin-6-yl]-4-methylpent-1-en-2-amine
PubChem CID156637603
Molecular FormulaC12H21F2N3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC Name(Z)-1-[2-(difluoromethyl)-4-methyl-3,5-dihydro-2H-pyrazin-6-yl]-4-methylpent-1-en-2-amine
SMILESCC(C)C/C(N)=C/C1=NC(C(F)F)CN(C)C1
InChIInChI=1S/C12H21F2N3/c1-8(2)4-9(15)5-10-6-17(3)7-11(16-10)12(13)14/h5,8,11-12H,4,6-7,15H2,1-3H3/b9-5-
InChIKeyLWVGTINWJYPMIE-UITAMQMPSA-N
XLogP1.90
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (Z)-1-[2-(difluoromethyl)-4-methyl-3,5-dihydro-2H-pyrazin-6-yl]-4-methylpent-1-en-2-amine with MolForge

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Related Compounds

(Z)-1-[2-(difluoromethyl)-4-methyl-3,5-dihydro-2H-pyrazin-6-yl]prop-1-en-2-amine
CID 156637535
(Z)-1,1,1-trifluoro-4-imino-N,5-dimethyl-N-(3-methylbutyl)hex-2-en-2-amine
CID 169582412
(Z)-4-methyl-1-(1,5,5-trimethyl-2,6-dihydropyrazin-3-yl)pent-1-en-2-amine
CID 156637528
(Z)-1-(4-methyl-3,5-dihydro-2H-pyrazin-6-yl)pent-1-en-2-amine
CID 156637551
(Z)-4-methyl-1-(7-methyl-4,7-diazaspiro[2.5]oct-4-en-5-yl)pent-1-en-2-amine
CID 156637576

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[2-(difluoromethyl)-4-methyl-3,5-dihydro-2H-pyrazin-6-yl]-4-methylpent-1-en-2-amine?
The IUPAC name of (Z)-1-[2-(difluoromethyl)-4-methyl-3,5-dihydro-2H-pyrazin-6-yl]-4-methylpent-1-en-2-amine (CID 156637603) is (Z)-1-[2-(difluoromethyl)-4-methyl-3,5-dihydro-2H-pyrazin-6-yl]-4-methylpent-1-en-2-amine.
What is the SMILES notation for (Z)-1-[2-(difluoromethyl)-4-methyl-3,5-dihydro-2H-pyrazin-6-yl]-4-methylpent-1-en-2-amine?
The canonical SMILES for (Z)-1-[2-(difluoromethyl)-4-methyl-3,5-dihydro-2H-pyrazin-6-yl]-4-methylpent-1-en-2-amine is CC(C)C/C(N)=C/C1=NC(C(F)F)CN(C)C1.
What is the InChIKey of (Z)-1-[2-(difluoromethyl)-4-methyl-3,5-dihydro-2H-pyrazin-6-yl]-4-methylpent-1-en-2-amine?
The InChIKey is LWVGTINWJYPMIE-UITAMQMPSA-N. The full InChI is InChI=1S/C12H21F2N3/c1-8(2)4-9(15)5-10-6-17(3)7-11(16-10)12(13)14/h5,8,11-12H,4,6-7,15H2,1-3H3/b9-5-.
What are the key properties of (Z)-1-[2-(difluoromethyl)-4-methyl-3,5-dihydro-2H-pyrazin-6-yl]-4-methylpent-1-en-2-amine?
(Z)-1-[2-(difluoromethyl)-4-methyl-3,5-dihydro-2H-pyrazin-6-yl]-4-methylpent-1-en-2-amine has a molecular weight of 245.32 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[2-(difluoromethyl)-4-methyl-3,5-dihydro-2H-pyrazin-6-yl]-4-methylpent-1-en-2-amine is sourced from PubChem (CID 156637603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).