N-methyl-5-methylsulfanylpentan-1-amine

C7H17NS — CID 58719975

IUPACN-methyl-5-methylsulfanylpentan-1-amine
SMILESCNCCCCCSC
InChIInChI=1S/C7H17NS/c1-8-6-4-3-5-7-9-2/h8H,3-7H2,1-2H3
InChIKeyJQYMZQNEKICFJN-UHFFFAOYSA-N
MW147.29 g/mol
LogP1.74
Rot. Bonds6

About N-methyl-5-methylsulfanylpentan-1-amine

N-methyl-5-methylsulfanylpentan-1-amine (PubChem CID 58719975) has the molecular formula C7H17NS and a molecular weight of 147.29 g/mol. Its IUPAC name is N-methyl-5-methylsulfanylpentan-1-amine.

Molecular Properties

Compound NameN-methyl-5-methylsulfanylpentan-1-amine
PubChem CID58719975
Molecular FormulaC7H17NS
Molecular Weight147.29 g/mol
Exact Mass147.11
IUPAC NameN-methyl-5-methylsulfanylpentan-1-amine
SMILESCNCCCCCSC
InChIInChI=1S/C7H17NS/c1-8-6-4-3-5-7-9-2/h8H,3-7H2,1-2H3
InChIKeyJQYMZQNEKICFJN-UHFFFAOYSA-N
XLogP1.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.29
LogP ≤ 51.74
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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Related Compounds

N,N'-dimethylhexane-1,6-diamine;hydrochloride
CID 154634683
N-(4-methylsulfanylbutyl)decan-1-amine
CID 113487512
N,N'-dimethylheptane-1,7-diamine;ethane;molecular hydrogen
CID 176578398
N-methyl-4-pentylsulfanylbutan-1-amine
CID 107757081
4-(methylamino)-N-(2-methylsulfanylethyl)butane-1-sulfonamide
CID 106063521
N-[3-(methylamino)propyl]-4-methylsulfanylbutanamide
CID 119434267
N-(5-methylsulfanylpentyl)ethanesulfonamide
CID 104922242
N-methyltriacontan-1-amine
CID 19840895
N-methyl-N'-[3-[6-[3-(methylamino)propylamino]hexylamino]propyl]hexane-1,6-diamine
CID 165341427
N-[1-(1-methylcyclopropyl)ethyl]-6-methylsulfanylhexan-1-amine
CID 104537205
N-methylbutan-1-amine;methylsulfanylethane
CID 153330629
N-(5-methylsulfanylpentyl)propanamide
CID 104920124

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-methylsulfanylpentan-1-amine?
The IUPAC name of N-methyl-5-methylsulfanylpentan-1-amine (CID 58719975) is N-methyl-5-methylsulfanylpentan-1-amine.
What is the SMILES notation for N-methyl-5-methylsulfanylpentan-1-amine?
The canonical SMILES for N-methyl-5-methylsulfanylpentan-1-amine is CNCCCCCSC.
What is the InChIKey of N-methyl-5-methylsulfanylpentan-1-amine?
The InChIKey is JQYMZQNEKICFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NS/c1-8-6-4-3-5-7-9-2/h8H,3-7H2,1-2H3.
What are the key properties of N-methyl-5-methylsulfanylpentan-1-amine?
N-methyl-5-methylsulfanylpentan-1-amine has a molecular weight of 147.29 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-methylsulfanylpentan-1-amine is sourced from PubChem (CID 58719975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).