1-thiophen-3-ylnonan-3-amine

C13H23NS — CID 115857036

IUPAC1-thiophen-3-ylnonan-3-amine
SMILESCCCCCCC(N)CCc1ccsc1
InChIInChI=1S/C13H23NS/c1-2-3-4-5-6-13(14)8-7-12-9-10-15-11-12/h9-11,13H,2-8,14H2,1H3
InChIKeyKMEOGRDCYVOCCE-UHFFFAOYSA-N
MW225.40 g/mol
LogP3.98
Rot. Bonds8

About 1-thiophen-3-ylnonan-3-amine

1-thiophen-3-ylnonan-3-amine (PubChem CID 115857036) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is 1-thiophen-3-ylnonan-3-amine.

Molecular Properties

Compound Name1-thiophen-3-ylnonan-3-amine
PubChem CID115857036
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC Name1-thiophen-3-ylnonan-3-amine
SMILESCCCCCCC(N)CCc1ccsc1
InChIInChI=1S/C13H23NS/c1-2-3-4-5-6-13(14)8-7-12-9-10-15-11-12/h9-11,13H,2-8,14H2,1H3
InChIKeyKMEOGRDCYVOCCE-UHFFFAOYSA-N
XLogP3.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-thiophen-3-ylundecan-2-amine
CID 65427688
1-thiophen-3-ylheptan-2-amine
CID 61077742
3-heptylthiophene;3-hexylthiophene
CID 159152668
1-propan-2-ylsulfanyl-4-thiophen-3-ylbutan-2-amine
CID 65131707
3-(2-hexyldecyl)thiophene
CID 67456553
3-(2,3-dimethyloctyl)thiophene
CID 22501098
1-(4-methylphenyl)decan-3-amine
CID 105125085
3-(2-bromotridecyl)thiophene
CID 65428156
3-(2-bromoicosyl)thiophene
CID 89438780
1-thiophen-3-yltetradecan-2-ol
CID 105090220
3-heptylthiophene;oxaldehyde
CID 175169306
CID 23070262
CID 23070262

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-3-ylnonan-3-amine?
The IUPAC name of 1-thiophen-3-ylnonan-3-amine (CID 115857036) is 1-thiophen-3-ylnonan-3-amine.
What is the SMILES notation for 1-thiophen-3-ylnonan-3-amine?
The canonical SMILES for 1-thiophen-3-ylnonan-3-amine is CCCCCCC(N)CCc1ccsc1.
What is the InChIKey of 1-thiophen-3-ylnonan-3-amine?
The InChIKey is KMEOGRDCYVOCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS/c1-2-3-4-5-6-13(14)8-7-12-9-10-15-11-12/h9-11,13H,2-8,14H2,1H3.
What are the key properties of 1-thiophen-3-ylnonan-3-amine?
1-thiophen-3-ylnonan-3-amine has a molecular weight of 225.40 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-3-ylnonan-3-amine is sourced from PubChem (CID 115857036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).