azane;3-(6,6-dimethylheptyl)thiophene

C13H25NS — CID 174801736

IUPACazane;3-(6,6-dimethylheptyl)thiophene
SMILESCC(C)(C)CCCCCc1ccsc1.N
InChIInChI=1S/C13H22S.H3N/c1-13(2,3)9-6-4-5-7-12-8-10-14-11-12;/h8,10-11H,4-7,9H2,1-3H3;1H3
InChIKeyZSFPISCPFRHIFO-UHFFFAOYSA-N
MW227.42 g/mol
LogP5.06
Rot. Bonds5

About azane;3-(6,6-dimethylheptyl)thiophene

azane;3-(6,6-dimethylheptyl)thiophene (PubChem CID 174801736) has the molecular formula C13H25NS and a molecular weight of 227.42 g/mol. Its IUPAC name is azane;3-(6,6-dimethylheptyl)thiophene.

Molecular Properties

Compound Nameazane;3-(6,6-dimethylheptyl)thiophene
PubChem CID174801736
Molecular FormulaC13H25NS
Molecular Weight227.42 g/mol
Exact Mass227.17
IUPAC Nameazane;3-(6,6-dimethylheptyl)thiophene
SMILESCC(C)(C)CCCCCc1ccsc1.N
InChIInChI=1S/C13H22S.H3N/c1-13(2,3)9-6-4-5-7-12-8-10-14-11-12;/h8,10-11H,4-7,9H2,1-3H3;1H3
InChIKeyZSFPISCPFRHIFO-UHFFFAOYSA-N
XLogP5.06
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500227.42
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze azane;3-(6,6-dimethylheptyl)thiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(6,6-dimethylheptyl)thiophene
CID 174801737
3-heptylthiophene;3-hexylthiophene
CID 159152668
1,4-bis(10,10-dimethylundecyl)benzene
CID 151982772
12-thiophen-3-yldodecan-1-ol
CID 67533520
3-(6-bromohexyl)thiophene
CID 11447992
12-thiophen-3-yldodecane-1-thiol
CID 71363861
4,4-dimethyl-N-(thiophen-3-ylmethyl)pentan-1-amine
CID 115642825
27,27-dimethyloctacosylbenzene
CID 140589361
4-thiophen-3-ylbutan-1-ol
CID 54222621
3-heptylthiophene;oxaldehyde
CID 175169306
CID 23070262
CID 23070262
azane;3-propylthiophene
CID 174446539

Frequently Asked Questions

What is the IUPAC name of azane;3-(6,6-dimethylheptyl)thiophene?
The IUPAC name of azane;3-(6,6-dimethylheptyl)thiophene (CID 174801736) is azane;3-(6,6-dimethylheptyl)thiophene.
What is the SMILES notation for azane;3-(6,6-dimethylheptyl)thiophene?
The canonical SMILES for azane;3-(6,6-dimethylheptyl)thiophene is CC(C)(C)CCCCCc1ccsc1.N.
What is the InChIKey of azane;3-(6,6-dimethylheptyl)thiophene?
The InChIKey is ZSFPISCPFRHIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22S.H3N/c1-13(2,3)9-6-4-5-7-12-8-10-14-11-12;/h8,10-11H,4-7,9H2,1-3H3;1H3.
What are the key properties of azane;3-(6,6-dimethylheptyl)thiophene?
azane;3-(6,6-dimethylheptyl)thiophene has a molecular weight of 227.42 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3-(6,6-dimethylheptyl)thiophene is sourced from PubChem (CID 174801736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).