4,4-dimethyl-N-methylsulfanylpentan-1-amine

C8H19NS — CID 134559123

IUPAC4,4-dimethyl-N-methylsulfanylpentan-1-amine
SMILESCSNCCCC(C)(C)C
InChIInChI=1S/C8H19NS/c1-8(2,3)6-5-7-9-10-4/h9H,5-7H2,1-4H3
InChIKeyWCJULSYCDCMMEW-UHFFFAOYSA-N
MW161.31 g/mol
LogP2.68
Rot. Bonds4

About 4,4-dimethyl-N-methylsulfanylpentan-1-amine

4,4-dimethyl-N-methylsulfanylpentan-1-amine (PubChem CID 134559123) has the molecular formula C8H19NS and a molecular weight of 161.31 g/mol. Its IUPAC name is 4,4-dimethyl-N-methylsulfanylpentan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-methylsulfanylpentan-1-amine
PubChem CID134559123
Molecular FormulaC8H19NS
Molecular Weight161.31 g/mol
Exact Mass161.12
IUPAC Name4,4-dimethyl-N-methylsulfanylpentan-1-amine
SMILESCSNCCCC(C)(C)C
InChIInChI=1S/C8H19NS/c1-8(2,3)6-5-7-9-10-4/h9H,5-7H2,1-4H3
InChIKeyWCJULSYCDCMMEW-UHFFFAOYSA-N
XLogP2.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

3-(4,4-dimethylpentylamino)-4-methylsulfanylcyclobut-3-ene-1,2-dione
CID 166507064
N'-(4,4-dimethylpentyl)-N-methylethane-1,2-diamine
CID 137426453
5-methyl-N-methylsulfanylhexan-1-amine
CID 142086551
1-chloro-4,4-dimethylpentane
CID 524245
2-N,2-dimethyl-4-N-methylsulfanylbutane-1,2,4-triamine
CID 154946316
N-(4,4-dimethylpentyl)methanesulfonamide
CID 20776366
N-(4,4-dimethylpentyl)-4,4-dimethylhexan-1-amine
CID 138739641
barium(2+);hydride;2,2,6,6-tetramethylheptane
CID 173027218
molecular hydrogen;2,2,6,6-tetramethylheptane
CID 169194475
potassium 4,4-dimethylpentan-1-olate
CID 175567265
N-(4,4-dimethylpentyl)sulfamoyl fluoride
CID 59881111
4,4-dimethyl-N-propan-2-ylpentan-1-amine;N-(2,2-dimethylpropyl)-3,3-dimethylbutan-1-amine
CID 159440730

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-methylsulfanylpentan-1-amine?
The IUPAC name of 4,4-dimethyl-N-methylsulfanylpentan-1-amine (CID 134559123) is 4,4-dimethyl-N-methylsulfanylpentan-1-amine.
What is the SMILES notation for 4,4-dimethyl-N-methylsulfanylpentan-1-amine?
The canonical SMILES for 4,4-dimethyl-N-methylsulfanylpentan-1-amine is CSNCCCC(C)(C)C.
What is the InChIKey of 4,4-dimethyl-N-methylsulfanylpentan-1-amine?
The InChIKey is WCJULSYCDCMMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NS/c1-8(2,3)6-5-7-9-10-4/h9H,5-7H2,1-4H3.
What are the key properties of 4,4-dimethyl-N-methylsulfanylpentan-1-amine?
4,4-dimethyl-N-methylsulfanylpentan-1-amine has a molecular weight of 161.31 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-methylsulfanylpentan-1-amine is sourced from PubChem (CID 134559123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).