5-methyl-N-methylsulfanylhexan-1-amine

C8H19NS — CID 142086551

IUPAC5-methyl-N-methylsulfanylhexan-1-amine
SMILESCSNCCCCC(C)C
InChIInChI=1S/C8H19NS/c1-8(2)6-4-5-7-9-10-3/h8-9H,4-7H2,1-3H3
InChIKeyAZTLXIOQLVNXIJ-UHFFFAOYSA-N
MW161.31 g/mol
LogP2.68
Rot. Bonds6

About 5-methyl-N-methylsulfanylhexan-1-amine

5-methyl-N-methylsulfanylhexan-1-amine (PubChem CID 142086551) has the molecular formula C8H19NS and a molecular weight of 161.31 g/mol. Its IUPAC name is 5-methyl-N-methylsulfanylhexan-1-amine.

Molecular Properties

Compound Name5-methyl-N-methylsulfanylhexan-1-amine
PubChem CID142086551
Molecular FormulaC8H19NS
Molecular Weight161.31 g/mol
Exact Mass161.12
IUPAC Name5-methyl-N-methylsulfanylhexan-1-amine
SMILESCSNCCCCC(C)C
InChIInChI=1S/C8H19NS/c1-8(2)6-4-5-7-9-10-3/h8-9H,4-7H2,1-3H3
InChIKeyAZTLXIOQLVNXIJ-UHFFFAOYSA-N
XLogP2.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

11-methyl-N-(6-methylheptyl)dodecan-1-amine
CID 175343740
N,5-dimethylhexan-1-amine;ethane
CID 142540507
10-methyl-N-(10-methylundecyl)undecan-1-amine
CID 22625170
12-methyl-N-(12-methyltridecylamino)oxytridecan-1-amine
CID 88780300
N,6-dimethylheptan-1-amine;ethane
CID 169159475
2,22-dimethyltricosane
CID 58100191
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
8-methyl-N-oxidononan-1-amine
CID 170430879
tris(2,7-dimethyloctane);ethane;methane
CID 159869544
2,7-dimethyloctane;2,4,6-trimethylheptane
CID 160877277
6-methylheptan-2-ylsilane
CID 174300964
5-methyl-N-(4-methylpentan-2-yl)hexan-1-amine
CID 115324441

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-methylsulfanylhexan-1-amine?
The IUPAC name of 5-methyl-N-methylsulfanylhexan-1-amine (CID 142086551) is 5-methyl-N-methylsulfanylhexan-1-amine.
What is the SMILES notation for 5-methyl-N-methylsulfanylhexan-1-amine?
The canonical SMILES for 5-methyl-N-methylsulfanylhexan-1-amine is CSNCCCCC(C)C.
What is the InChIKey of 5-methyl-N-methylsulfanylhexan-1-amine?
The InChIKey is AZTLXIOQLVNXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NS/c1-8(2)6-4-5-7-9-10-3/h8-9H,4-7H2,1-3H3.
What are the key properties of 5-methyl-N-methylsulfanylhexan-1-amine?
5-methyl-N-methylsulfanylhexan-1-amine has a molecular weight of 161.31 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-methylsulfanylhexan-1-amine is sourced from PubChem (CID 142086551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).