5-(6-methyldodecan-6-yl)-N-(7-methyltridecan-7-yl)-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine

C33H66N2S — CID 139315711

IUPAC5-(6-methyldodecan-6-yl)-N-(7-methyltridecan-7-yl)-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine
SMILESCCCCCCC(C)(CCCCCC)NC1CSC2CN(C(C)(CCCCC)CCCCCC)CC12
InChIInChI=1S/C33H66N2S/c1-7-11-15-19-22-32(5,23-20-16-12-8-2)34-30-28-36-31-27-35(26-29(30)31)33(6,24-18-14-10-4)25-21-17-13-9-3/h29-31,34H,7-28H2,1-6H3
InChIKeyJVOXDIKHFZEURV-UHFFFAOYSA-N
MW522.97 g/mol
LogP10.00
Rot. Bonds22

About 5-(6-methyldodecan-6-yl)-N-(7-methyltridecan-7-yl)-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine

5-(6-methyldodecan-6-yl)-N-(7-methyltridecan-7-yl)-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine (PubChem CID 139315711) has the molecular formula C33H66N2S and a molecular weight of 522.97 g/mol. Its IUPAC name is 5-(6-methyldodecan-6-yl)-N-(7-methyltridecan-7-yl)-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine.

Molecular Properties

Compound Name5-(6-methyldodecan-6-yl)-N-(7-methyltridecan-7-yl)-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine
PubChem CID139315711
Molecular FormulaC33H66N2S
Molecular Weight522.97 g/mol
Exact Mass522.49
IUPAC Name5-(6-methyldodecan-6-yl)-N-(7-methyltridecan-7-yl)-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine
SMILESCCCCCCC(C)(CCCCCC)NC1CSC2CN(C(C)(CCCCC)CCCCCC)CC12
InChIInChI=1S/C33H66N2S/c1-7-11-15-19-22-32(5,23-20-16-12-8-2)34-30-28-36-31-27-35(26-29(30)31)33(6,24-18-14-10-4)25-21-17-13-9-3/h29-31,34H,7-28H2,1-6H3
InChIKeyJVOXDIKHFZEURV-UHFFFAOYSA-N
XLogP10.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.97
LogP ≤ 510.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(6-methyldodecan-6-yl)-N-(7-methyltridecan-7-yl)-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine with MolForge

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Related Compounds

1-(6-methyldodecan-6-yl)azetidin-3-amine
CID 130337700
1-(7-methyltetradecan-7-yl)-1,3-diazetidine
CID 139436879
2-(3,4-dimethylpyrrolidin-1-yl)-2-methylheptan-1-amine
CID 80557534
1-(7-methyltridecan-7-yl)pyrrolidine
CID 131990775
2-(2,6-dimethylmorpholin-4-yl)-2-methyloctan-1-amine
CID 43089493
N-(6-methyldodecan-6-yl)-1-methylsulfonylazetidin-3-amine
CID 146436756
1-(5-methyldecan-5-yl)azetidine-3-carboxylic acid
CID 154981972
5-(6-methylundecan-6-yl)-3-(5-methylundecan-5-yloxy)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 139315486
3-(4-methyloctan-4-yl)-3,6-diazabicyclo[3.2.1]octane
CID 130337399
N-(6-methylundecan-6-yl)cyclopentanamine
CID 134356805
N-(6-methyltridecan-6-yl)piperidin-4-amine
CID 175625026
1-(7-methyltetradecan-7-yl)piperidin-3-amine
CID 126486331

Frequently Asked Questions

What is the IUPAC name of 5-(6-methyldodecan-6-yl)-N-(7-methyltridecan-7-yl)-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine?
The IUPAC name of 5-(6-methyldodecan-6-yl)-N-(7-methyltridecan-7-yl)-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine (CID 139315711) is 5-(6-methyldodecan-6-yl)-N-(7-methyltridecan-7-yl)-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine.
What is the SMILES notation for 5-(6-methyldodecan-6-yl)-N-(7-methyltridecan-7-yl)-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine?
The canonical SMILES for 5-(6-methyldodecan-6-yl)-N-(7-methyltridecan-7-yl)-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine is CCCCCCC(C)(CCCCCC)NC1CSC2CN(C(C)(CCCCC)CCCCCC)CC12.
What is the InChIKey of 5-(6-methyldodecan-6-yl)-N-(7-methyltridecan-7-yl)-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine?
The InChIKey is JVOXDIKHFZEURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H66N2S/c1-7-11-15-19-22-32(5,23-20-16-12-8-2)34-30-28-36-31-27-35(26-29(30)31)33(6,24-18-14-10-4)25-21-17-13-9-3/h29-31,34H,7-28H2,1-6H3.
What are the key properties of 5-(6-methyldodecan-6-yl)-N-(7-methyltridecan-7-yl)-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine?
5-(6-methyldodecan-6-yl)-N-(7-methyltridecan-7-yl)-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine has a molecular weight of 522.97 g/mol, XLogP of 10.00, 22 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methyldodecan-6-yl)-N-(7-methyltridecan-7-yl)-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine is sourced from PubChem (CID 139315711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).