6-[(Z)-but-1-enyl]-5-methyl-2-propyl-1,2,3,6-tetrahydropyrazine

C12H22N2 — CID 163892273

IUPAC6-[(Z)-but-1-enyl]-5-methyl-2-propyl-1,2,3,6-tetrahydropyrazine
SMILESCC/C=C\C1NC(CCC)CN=C1C
InChIInChI=1S/C12H22N2/c1-4-6-8-12-10(3)13-9-11(14-12)7-5-2/h6,8,11-12,14H,4-5,7,9H2,1-3H3/b8-6-
InChIKeyQCNROSAZDSIPPC-VURMDHGXSA-N
MW194.32 g/mol
LogP2.55
Rot. Bonds4

About 6-[(Z)-but-1-enyl]-5-methyl-2-propyl-1,2,3,6-tetrahydropyrazine

6-[(Z)-but-1-enyl]-5-methyl-2-propyl-1,2,3,6-tetrahydropyrazine (PubChem CID 163892273) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 6-[(Z)-but-1-enyl]-5-methyl-2-propyl-1,2,3,6-tetrahydropyrazine.

Molecular Properties

Compound Name6-[(Z)-but-1-enyl]-5-methyl-2-propyl-1,2,3,6-tetrahydropyrazine
PubChem CID163892273
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name6-[(Z)-but-1-enyl]-5-methyl-2-propyl-1,2,3,6-tetrahydropyrazine
SMILESCC/C=C\C1NC(CCC)CN=C1C
InChIInChI=1S/C12H22N2/c1-4-6-8-12-10(3)13-9-11(14-12)7-5-2/h6,8,11-12,14H,4-5,7,9H2,1-3H3/b8-6-
InChIKeyQCNROSAZDSIPPC-VURMDHGXSA-N
XLogP2.55
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1,2,6,7,8,8a-Hexahydro-1,5-naphthyridine
CID 91801931
N'-[(E)-6-iminohept-2-en-3-yl]-N-propylethane-1,2-diamine
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N-ethyl-N'-[(E)-6-iminohept-2-en-3-yl]ethane-1,2-diamine
CID 118049452
N-(1-butan-2-yliminopropan-2-yl)hept-5-en-1-amine
CID 123147884
N-(2,3-dihydropyridin-2-ylmethyl)-2-ethyliminopentan-1-amine
CID 123262214
1-(2,3-dihydropyridin-6-yl)-N-methylpropan-1-amine
CID 123364560
2-(cyclohex-2-en-1-ylideneamino)-N-methylethanamine
CID 123408588
3-hepta-2,4-dienylimino-N-methylpentan-1-amine
CID 123804230
6-(1,2,3,6-Tetrahydropyridin-6-yl)-2,3,4,5-tetrahydropyridine
CID 123843797

Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-but-1-enyl]-5-methyl-2-propyl-1,2,3,6-tetrahydropyrazine?
The IUPAC name of 6-[(Z)-but-1-enyl]-5-methyl-2-propyl-1,2,3,6-tetrahydropyrazine (CID 163892273) is 6-[(Z)-but-1-enyl]-5-methyl-2-propyl-1,2,3,6-tetrahydropyrazine.
What is the SMILES notation for 6-[(Z)-but-1-enyl]-5-methyl-2-propyl-1,2,3,6-tetrahydropyrazine?
The canonical SMILES for 6-[(Z)-but-1-enyl]-5-methyl-2-propyl-1,2,3,6-tetrahydropyrazine is CC/C=C\C1NC(CCC)CN=C1C.
What is the InChIKey of 6-[(Z)-but-1-enyl]-5-methyl-2-propyl-1,2,3,6-tetrahydropyrazine?
The InChIKey is QCNROSAZDSIPPC-VURMDHGXSA-N. The full InChI is InChI=1S/C12H22N2/c1-4-6-8-12-10(3)13-9-11(14-12)7-5-2/h6,8,11-12,14H,4-5,7,9H2,1-3H3/b8-6-.
What are the key properties of 6-[(Z)-but-1-enyl]-5-methyl-2-propyl-1,2,3,6-tetrahydropyrazine?
6-[(Z)-but-1-enyl]-5-methyl-2-propyl-1,2,3,6-tetrahydropyrazine has a molecular weight of 194.32 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-but-1-enyl]-5-methyl-2-propyl-1,2,3,6-tetrahydropyrazine is sourced from PubChem (CID 163892273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).