2,2-dimethyl-4-(5-methylhex-5-enyl)-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazole

C14H26N2S — CID 163602995

IUPAC2,2-dimethyl-4-(5-methylhex-5-enyl)-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazole
SMILESC=C(C)CCCCC1SCC2NC(C)(C)NC21
InChIInChI=1S/C14H26N2S/c1-10(2)7-5-6-8-12-13-11(9-17-12)15-14(3,4)16-13/h11-13,15-16H,1,5-9H2,2-4H3
InChIKeyGZHPTJRQOLHFRS-UHFFFAOYSA-N
MW254.44 g/mol
LogP2.90
Rot. Bonds5

About 2,2-dimethyl-4-(5-methylhex-5-enyl)-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazole

2,2-dimethyl-4-(5-methylhex-5-enyl)-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazole (PubChem CID 163602995) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is 2,2-dimethyl-4-(5-methylhex-5-enyl)-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazole.

Molecular Properties

Compound Name2,2-dimethyl-4-(5-methylhex-5-enyl)-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazole
PubChem CID163602995
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC Name2,2-dimethyl-4-(5-methylhex-5-enyl)-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazole
SMILESC=C(C)CCCCC1SCC2NC(C)(C)NC21
InChIInChI=1S/C14H26N2S/c1-10(2)7-5-6-8-12-13-11(9-17-12)15-14(3,4)16-13/h11-13,15-16H,1,5-9H2,2-4H3
InChIKeyGZHPTJRQOLHFRS-UHFFFAOYSA-N
XLogP2.90
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 52.90
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'}

Analyze 2,2-dimethyl-4-(5-methylhex-5-enyl)-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazole with MolForge

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Related Compounds

(3aS,6aR)-2-methylidene-4-pentyl-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazole
CID 58855700
2-Methylidene-4-pentyl-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazole
CID 72444974
(3aS,4S,6aR)-4-butyl-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazole
CID 118982942
(3aS,4S,6aR)-4-(5-methylidenepentadecyl)-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-2-one
CID 121402950
(3aS,4S,6aR)-4-[5-(ethylamino)hex-5-enyl]-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-2-one
CID 121402951
(3aS,4S,6aR)-4-[5-(2-methylidenenonylsulfanyl)hex-5-enyl]-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-2-one
CID 121402952
4-Butyl-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazole
CID 139421709
Ethane;4-(5-methylhex-5-enyl)-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-2-one
CID 141835989
4-[(3aS,4S,6aR)-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]butan-1-amine;propane
CID 141987228
(3aR,6aS)-6-hex-5-enyl-2-methylidene-3,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-3a-amine
CID 142336264
Ethane;2-methylidene-4-pentyl-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazole
CID 144774242
2-Methylidene-4-(6-methyl-5-methylideneheptyl)-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazole
CID 144977799

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(5-methylhex-5-enyl)-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazole?
The IUPAC name of 2,2-dimethyl-4-(5-methylhex-5-enyl)-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazole (CID 163602995) is 2,2-dimethyl-4-(5-methylhex-5-enyl)-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazole.
What is the SMILES notation for 2,2-dimethyl-4-(5-methylhex-5-enyl)-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazole?
The canonical SMILES for 2,2-dimethyl-4-(5-methylhex-5-enyl)-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazole is C=C(C)CCCCC1SCC2NC(C)(C)NC21.
What is the InChIKey of 2,2-dimethyl-4-(5-methylhex-5-enyl)-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazole?
The InChIKey is GZHPTJRQOLHFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-10(2)7-5-6-8-12-13-11(9-17-12)15-14(3,4)16-13/h11-13,15-16H,1,5-9H2,2-4H3.
What are the key properties of 2,2-dimethyl-4-(5-methylhex-5-enyl)-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazole?
2,2-dimethyl-4-(5-methylhex-5-enyl)-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazole has a molecular weight of 254.44 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(5-methylhex-5-enyl)-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazole is sourced from PubChem (CID 163602995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).