N-(methylsulfanylmethyl)hexan-1-amine

C8H19NS — CID 149291454

IUPACN-(methylsulfanylmethyl)hexan-1-amine
SMILESCCCCCCNCSC
InChIInChI=1S/C8H19NS/c1-3-4-5-6-7-9-8-10-2/h9H,3-8H2,1-2H3
InChIKeyXUXUABOLGQACRK-UHFFFAOYSA-N
MW161.31 g/mol
LogP2.48
Rot. Bonds7

About N-(methylsulfanylmethyl)hexan-1-amine

N-(methylsulfanylmethyl)hexan-1-amine (PubChem CID 149291454) has the molecular formula C8H19NS and a molecular weight of 161.31 g/mol. Its IUPAC name is N-(methylsulfanylmethyl)hexan-1-amine.

Molecular Properties

Compound NameN-(methylsulfanylmethyl)hexan-1-amine
PubChem CID149291454
Molecular FormulaC8H19NS
Molecular Weight161.31 g/mol
Exact Mass161.12
IUPAC NameN-(methylsulfanylmethyl)hexan-1-amine
SMILESCCCCCCNCSC
InChIInChI=1S/C8H19NS/c1-3-4-5-6-7-9-8-10-2/h9H,3-8H2,1-2H3
InChIKeyXUXUABOLGQACRK-UHFFFAOYSA-N
XLogP2.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(methylsulfanylmethyl)hexan-1-amine?
The IUPAC name of N-(methylsulfanylmethyl)hexan-1-amine (CID 149291454) is N-(methylsulfanylmethyl)hexan-1-amine.
What is the SMILES notation for N-(methylsulfanylmethyl)hexan-1-amine?
The canonical SMILES for N-(methylsulfanylmethyl)hexan-1-amine is CCCCCCNCSC.
What is the InChIKey of N-(methylsulfanylmethyl)hexan-1-amine?
The InChIKey is XUXUABOLGQACRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NS/c1-3-4-5-6-7-9-8-10-2/h9H,3-8H2,1-2H3.
What are the key properties of N-(methylsulfanylmethyl)hexan-1-amine?
N-(methylsulfanylmethyl)hexan-1-amine has a molecular weight of 161.31 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylsulfanylmethyl)hexan-1-amine is sourced from PubChem (CID 149291454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).