N-dodecylthiophen-3-amine

C16H29NS — CID 66351280

IUPACN-dodecylthiophen-3-amine
SMILESCCCCCCCCCCCCNc1ccsc1
InChIInChI=1S/C16H29NS/c1-2-3-4-5-6-7-8-9-10-11-13-17-16-12-14-18-15-16/h12,14-15,17H,2-11,13H2,1H3
InChIKeyLIIXXKLYZGSZPG-UHFFFAOYSA-N
MW267.48 g/mol
LogP6.08
Rot. Bonds12

About N-dodecylthiophen-3-amine

N-dodecylthiophen-3-amine (PubChem CID 66351280) has the molecular formula C16H29NS and a molecular weight of 267.48 g/mol. Its IUPAC name is N-dodecylthiophen-3-amine.

Molecular Properties

Compound NameN-dodecylthiophen-3-amine
PubChem CID66351280
Molecular FormulaC16H29NS
Molecular Weight267.48 g/mol
Exact Mass267.20
IUPAC NameN-dodecylthiophen-3-amine
SMILESCCCCCCCCCCCCNc1ccsc1
InChIInChI=1S/C16H29NS/c1-2-3-4-5-6-7-8-9-10-11-13-17-16-12-14-18-15-16/h12,14-15,17H,2-11,13H2,1H3
InChIKeyLIIXXKLYZGSZPG-UHFFFAOYSA-N
XLogP6.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.48
LogP ≤ 56.08
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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Frequently Asked Questions

What is the IUPAC name of N-dodecylthiophen-3-amine?
The IUPAC name of N-dodecylthiophen-3-amine (CID 66351280) is N-dodecylthiophen-3-amine.
What is the SMILES notation for N-dodecylthiophen-3-amine?
The canonical SMILES for N-dodecylthiophen-3-amine is CCCCCCCCCCCCNc1ccsc1.
What is the InChIKey of N-dodecylthiophen-3-amine?
The InChIKey is LIIXXKLYZGSZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NS/c1-2-3-4-5-6-7-8-9-10-11-13-17-16-12-14-18-15-16/h12,14-15,17H,2-11,13H2,1H3.
What are the key properties of N-dodecylthiophen-3-amine?
N-dodecylthiophen-3-amine has a molecular weight of 267.48 g/mol, XLogP of 6.08, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecylthiophen-3-amine is sourced from PubChem (CID 66351280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).