N-(5-methylundecan-5-yl)thian-4-amine

C17H35NS — CID 146436758

IUPACN-(5-methylundecan-5-yl)thian-4-amine
SMILESCCCCCCC(C)(CCCC)NC1CCSCC1
InChIInChI=1S/C17H35NS/c1-4-6-8-9-13-17(3,12-7-5-2)18-16-10-14-19-15-11-16/h16,18H,4-15H2,1-3H3
InChIKeyVJYHXZXCQJWJCM-UHFFFAOYSA-N
MW285.54 g/mol
LogP5.39
Rot. Bonds10

About N-(5-methylundecan-5-yl)thian-4-amine

N-(5-methylundecan-5-yl)thian-4-amine (PubChem CID 146436758) has the molecular formula C17H35NS and a molecular weight of 285.54 g/mol. Its IUPAC name is N-(5-methylundecan-5-yl)thian-4-amine.

Molecular Properties

Compound NameN-(5-methylundecan-5-yl)thian-4-amine
PubChem CID146436758
Molecular FormulaC17H35NS
Molecular Weight285.54 g/mol
Exact Mass285.25
IUPAC NameN-(5-methylundecan-5-yl)thian-4-amine
SMILESCCCCCCC(C)(CCCC)NC1CCSCC1
InChIInChI=1S/C17H35NS/c1-4-6-8-9-13-17(3,12-7-5-2)18-16-10-14-19-15-11-16/h16,18H,4-15H2,1-3H3
InChIKeyVJYHXZXCQJWJCM-UHFFFAOYSA-N
XLogP5.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.54
LogP ≤ 55.39
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-(5-methylundecan-5-yl)thian-4-amine?
The IUPAC name of N-(5-methylundecan-5-yl)thian-4-amine (CID 146436758) is N-(5-methylundecan-5-yl)thian-4-amine.
What is the SMILES notation for N-(5-methylundecan-5-yl)thian-4-amine?
The canonical SMILES for N-(5-methylundecan-5-yl)thian-4-amine is CCCCCCC(C)(CCCC)NC1CCSCC1.
What is the InChIKey of N-(5-methylundecan-5-yl)thian-4-amine?
The InChIKey is VJYHXZXCQJWJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NS/c1-4-6-8-9-13-17(3,12-7-5-2)18-16-10-14-19-15-11-16/h16,18H,4-15H2,1-3H3.
What are the key properties of N-(5-methylundecan-5-yl)thian-4-amine?
N-(5-methylundecan-5-yl)thian-4-amine has a molecular weight of 285.54 g/mol, XLogP of 5.39, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylundecan-5-yl)thian-4-amine is sourced from PubChem (CID 146436758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).