6-(3,5-dimethylthiophen-2-yl)-N-(2-methylpropyl)hexan-1-amine

C16H29NS — CID 81158945

IUPAC6-(3,5-dimethylthiophen-2-yl)-N-(2-methylpropyl)hexan-1-amine
SMILESCc1cc(C)c(CCCCCCNCC(C)C)s1
InChIInChI=1S/C16H29NS/c1-13(2)12-17-10-8-6-5-7-9-16-14(3)11-15(4)18-16/h11,13,17H,5-10,12H2,1-4H3
InChIKeyLNSNRVVQRALSEZ-UHFFFAOYSA-N
MW267.48 g/mol
LogP4.71
Rot. Bonds9

About 6-(3,5-dimethylthiophen-2-yl)-N-(2-methylpropyl)hexan-1-amine

6-(3,5-dimethylthiophen-2-yl)-N-(2-methylpropyl)hexan-1-amine (PubChem CID 81158945) has the molecular formula C16H29NS and a molecular weight of 267.48 g/mol. Its IUPAC name is 6-(3,5-dimethylthiophen-2-yl)-N-(2-methylpropyl)hexan-1-amine.

Molecular Properties

Compound Name6-(3,5-dimethylthiophen-2-yl)-N-(2-methylpropyl)hexan-1-amine
PubChem CID81158945
Molecular FormulaC16H29NS
Molecular Weight267.48 g/mol
Exact Mass267.20
IUPAC Name6-(3,5-dimethylthiophen-2-yl)-N-(2-methylpropyl)hexan-1-amine
SMILESCc1cc(C)c(CCCCCCNCC(C)C)s1
InChIInChI=1S/C16H29NS/c1-13(2)12-17-10-8-6-5-7-9-16-14(3)11-15(4)18-16/h11,13,17H,5-10,12H2,1-4H3
InChIKeyLNSNRVVQRALSEZ-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.48
LogP ≤ 54.71
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 6-(3,5-dimethylthiophen-2-yl)-N-(2-methylpropyl)hexan-1-amine?
The IUPAC name of 6-(3,5-dimethylthiophen-2-yl)-N-(2-methylpropyl)hexan-1-amine (CID 81158945) is 6-(3,5-dimethylthiophen-2-yl)-N-(2-methylpropyl)hexan-1-amine.
What is the SMILES notation for 6-(3,5-dimethylthiophen-2-yl)-N-(2-methylpropyl)hexan-1-amine?
The canonical SMILES for 6-(3,5-dimethylthiophen-2-yl)-N-(2-methylpropyl)hexan-1-amine is Cc1cc(C)c(CCCCCCNCC(C)C)s1.
What is the InChIKey of 6-(3,5-dimethylthiophen-2-yl)-N-(2-methylpropyl)hexan-1-amine?
The InChIKey is LNSNRVVQRALSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NS/c1-13(2)12-17-10-8-6-5-7-9-16-14(3)11-15(4)18-16/h11,13,17H,5-10,12H2,1-4H3.
What are the key properties of 6-(3,5-dimethylthiophen-2-yl)-N-(2-methylpropyl)hexan-1-amine?
6-(3,5-dimethylthiophen-2-yl)-N-(2-methylpropyl)hexan-1-amine has a molecular weight of 267.48 g/mol, XLogP of 4.71, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylthiophen-2-yl)-N-(2-methylpropyl)hexan-1-amine is sourced from PubChem (CID 81158945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).