2-methylidene-4-(6-methyl-5-methylideneheptyl)-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazole

C15H26N2S — CID 144977799

IUPAC2-methylidene-4-(6-methyl-5-methylideneheptyl)-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazole
SMILESC=C1NC2CSC(CCCCC(=C)C(C)C)C2N1
InChIInChI=1S/C15H26N2S/c1-10(2)11(3)7-5-6-8-14-15-13(9-18-14)16-12(4)17-15/h10,13-17H,3-9H2,1-2H3
InChIKeyKPJWOCJNVUKEAA-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.28
Rot. Bonds6

About 2-methylidene-4-(6-methyl-5-methylideneheptyl)-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazole

2-methylidene-4-(6-methyl-5-methylideneheptyl)-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazole (PubChem CID 144977799) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is 2-methylidene-4-(6-methyl-5-methylideneheptyl)-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazole.

Molecular Properties

Compound Name2-methylidene-4-(6-methyl-5-methylideneheptyl)-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazole
PubChem CID144977799
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC Name2-methylidene-4-(6-methyl-5-methylideneheptyl)-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazole
SMILESC=C1NC2CSC(CCCCC(=C)C(C)C)C2N1
InChIInChI=1S/C15H26N2S/c1-10(2)11(3)7-5-6-8-14-15-13(9-18-14)16-12(4)17-15/h10,13-17H,3-9H2,1-2H3
InChIKeyKPJWOCJNVUKEAA-UHFFFAOYSA-N
XLogP3.28
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3aS,4S,6aR)-4-(6,6-dimethyl-5-methylideneheptyl)-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-2-one
CID 60111893
4-(5,5-Dimethylhexyl)-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazole
CID 121380503
(3aR,6aS)-6-hex-5-enyl-2-methylidene-3,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-3a-amine
CID 142336264
2,2-Dimethyl-4-(5-methylhex-5-enyl)-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazole
CID 163602995
(3aS,4R,6aR)-4-(5-aminohex-5-enyl)-3a-methyl-3,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-2-one
CID 166866781
6-[(4S)-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]hex-1-en-2-amine
CID 169922577
3-methyl-N-[5-(2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pent-1-en-2-yl]heptan-1-amine
CID 170089543
(3aS,6aR)-6-(5-methylhexyl)-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole
CID 158691201
2-Methylidene-4-propan-2-yl-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazole
CID 158845487

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-4-(6-methyl-5-methylideneheptyl)-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazole?
The IUPAC name of 2-methylidene-4-(6-methyl-5-methylideneheptyl)-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazole (CID 144977799) is 2-methylidene-4-(6-methyl-5-methylideneheptyl)-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazole.
What is the SMILES notation for 2-methylidene-4-(6-methyl-5-methylideneheptyl)-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazole?
The canonical SMILES for 2-methylidene-4-(6-methyl-5-methylideneheptyl)-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazole is C=C1NC2CSC(CCCCC(=C)C(C)C)C2N1.
What is the InChIKey of 2-methylidene-4-(6-methyl-5-methylideneheptyl)-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazole?
The InChIKey is KPJWOCJNVUKEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-10(2)11(3)7-5-6-8-14-15-13(9-18-14)16-12(4)17-15/h10,13-17H,3-9H2,1-2H3.
What are the key properties of 2-methylidene-4-(6-methyl-5-methylideneheptyl)-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazole?
2-methylidene-4-(6-methyl-5-methylideneheptyl)-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazole has a molecular weight of 266.45 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-4-(6-methyl-5-methylideneheptyl)-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazole is sourced from PubChem (CID 144977799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).