1,5-dimethyl-6-methylidene-2,3-dihydropyrazine;(5Z)-1,5-dimethyl-3,4,7,8-tetrahydro-2H-azocine

C16H29N3 — CID 143837613

IUPAC1,5-dimethyl-6-methylidene-2,3-dihydropyrazine;(5Z)-1,5-dimethyl-3,4,7,8-tetrahydro-2H-azocine
SMILESC/C1=C/CCN(C)CCC1.C=C1C(C)=NCCN1C
InChIInChI=1S/C9H17N.C7H12N2/c1-9-5-3-7-10(2)8-4-6-9;1-6-7(2)9(3)5-4-8-6/h5H,3-4,6-8H2,1-2H3;2,4-5H2,1,3H3/b9-5-;
InChIKeyKXUQZWAJWCTRNZ-UYTGOYFPSA-N
MW263.43 g/mol
LogP2.95
Rot. Bonds

About 1,5-dimethyl-6-methylidene-2,3-dihydropyrazine;(5Z)-1,5-dimethyl-3,4,7,8-tetrahydro-2H-azocine

1,5-dimethyl-6-methylidene-2,3-dihydropyrazine;(5Z)-1,5-dimethyl-3,4,7,8-tetrahydro-2H-azocine (PubChem CID 143837613) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 1,5-dimethyl-6-methylidene-2,3-dihydropyrazine;(5Z)-1,5-dimethyl-3,4,7,8-tetrahydro-2H-azocine.

Molecular Properties

Compound Name1,5-dimethyl-6-methylidene-2,3-dihydropyrazine;(5Z)-1,5-dimethyl-3,4,7,8-tetrahydro-2H-azocine
PubChem CID143837613
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name1,5-dimethyl-6-methylidene-2,3-dihydropyrazine;(5Z)-1,5-dimethyl-3,4,7,8-tetrahydro-2H-azocine
SMILESC/C1=C/CCN(C)CCC1.C=C1C(C)=NCCN1C
InChIInChI=1S/C9H17N.C7H12N2/c1-9-5-3-7-10(2)8-4-6-9;1-6-7(2)9(3)5-4-8-6/h5H,3-4,6-8H2,1-2H3;2,4-5H2,1,3H3/b9-5-;
InChIKeyKXUQZWAJWCTRNZ-UYTGOYFPSA-N
XLogP2.95
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-6-methylidene-2,3-dihydropyrazine;(5Z)-1,5-dimethyl-3,4,7,8-tetrahydro-2H-azocine?
The IUPAC name of 1,5-dimethyl-6-methylidene-2,3-dihydropyrazine;(5Z)-1,5-dimethyl-3,4,7,8-tetrahydro-2H-azocine (CID 143837613) is 1,5-dimethyl-6-methylidene-2,3-dihydropyrazine;(5Z)-1,5-dimethyl-3,4,7,8-tetrahydro-2H-azocine.
What is the SMILES notation for 1,5-dimethyl-6-methylidene-2,3-dihydropyrazine;(5Z)-1,5-dimethyl-3,4,7,8-tetrahydro-2H-azocine?
The canonical SMILES for 1,5-dimethyl-6-methylidene-2,3-dihydropyrazine;(5Z)-1,5-dimethyl-3,4,7,8-tetrahydro-2H-azocine is C/C1=C/CCN(C)CCC1.C=C1C(C)=NCCN1C.
What is the InChIKey of 1,5-dimethyl-6-methylidene-2,3-dihydropyrazine;(5Z)-1,5-dimethyl-3,4,7,8-tetrahydro-2H-azocine?
The InChIKey is KXUQZWAJWCTRNZ-UYTGOYFPSA-N. The full InChI is InChI=1S/C9H17N.C7H12N2/c1-9-5-3-7-10(2)8-4-6-9;1-6-7(2)9(3)5-4-8-6/h5H,3-4,6-8H2,1-2H3;2,4-5H2,1,3H3/b9-5-;.
What are the key properties of 1,5-dimethyl-6-methylidene-2,3-dihydropyrazine;(5Z)-1,5-dimethyl-3,4,7,8-tetrahydro-2H-azocine?
1,5-dimethyl-6-methylidene-2,3-dihydropyrazine;(5Z)-1,5-dimethyl-3,4,7,8-tetrahydro-2H-azocine has a molecular weight of 263.43 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-6-methylidene-2,3-dihydropyrazine;(5Z)-1,5-dimethyl-3,4,7,8-tetrahydro-2H-azocine is sourced from PubChem (CID 143837613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).