N-methyl-N-[2-(propyldisulfanyl)ethyl]nonan-1-amine

C15H33NS2 — CID 176996000

IUPACN-methyl-N-[2-(propyldisulfanyl)ethyl]nonan-1-amine
SMILESCCCCCCCCCN(C)CCSSCCC
InChIInChI=1S/C15H33NS2/c1-4-6-7-8-9-10-11-12-16(3)13-15-18-17-14-5-2/h4-15H2,1-3H3
InChIKeyGZLSZZRLNOHIGB-UHFFFAOYSA-N
MW291.57 g/mol
LogP5.46
Rot. Bonds14

About N-methyl-N-[2-(propyldisulfanyl)ethyl]nonan-1-amine

N-methyl-N-[2-(propyldisulfanyl)ethyl]nonan-1-amine (PubChem CID 176996000) has the molecular formula C15H33NS2 and a molecular weight of 291.57 g/mol. Its IUPAC name is N-methyl-N-[2-(propyldisulfanyl)ethyl]nonan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[2-(propyldisulfanyl)ethyl]nonan-1-amine
PubChem CID176996000
Molecular FormulaC15H33NS2
Molecular Weight291.57 g/mol
Exact Mass291.21
IUPAC NameN-methyl-N-[2-(propyldisulfanyl)ethyl]nonan-1-amine
SMILESCCCCCCCCCN(C)CCSSCCC
InChIInChI=1S/C15H33NS2/c1-4-6-7-8-9-10-11-12-16(3)13-15-18-17-14-5-2/h4-15H2,1-3H3
InChIKeyGZLSZZRLNOHIGB-UHFFFAOYSA-N
XLogP5.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.57
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine
CID 172776346
N-hexyl-N-methyldodecan-1-amine
CID 139978744
N-dodecyl-N-methyldodecan-1-amine;tetradecane
CID 118268401
N-hexadecyl-N-methylicosan-1-amine
CID 21242596
N-methyl-N-tridecyltetradecan-1-amine
CID 87351995
N-methyl-N-octylundecan-1-amine
CID 140654810
N,N'-dimethyl-N,N'-dioctyldecane-1,10-diamine
CID 19772875
N-methyl-N-nonylundecan-1-amine
CID 603442
N-methyl-N-pentacosylpentacosan-1-amine
CID 118952569
N-hexadecyl-N-methylhexadecan-1-amine;hydrochloride
CID 71350597
N-butyl-N-methylbutan-1-amine;N-decyl-N-methyldecan-1-amine;N-dodecyl-N-methyldodecan-1-amine;N-hexyl-N-methylhexan-1-amine;N-methyl-N-octyloctan-1-amine
CID 158494739
N-butyl-N-methyldodecan-1-amine;hydrochloride
CID 86105258

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(propyldisulfanyl)ethyl]nonan-1-amine?
The IUPAC name of N-methyl-N-[2-(propyldisulfanyl)ethyl]nonan-1-amine (CID 176996000) is N-methyl-N-[2-(propyldisulfanyl)ethyl]nonan-1-amine.
What is the SMILES notation for N-methyl-N-[2-(propyldisulfanyl)ethyl]nonan-1-amine?
The canonical SMILES for N-methyl-N-[2-(propyldisulfanyl)ethyl]nonan-1-amine is CCCCCCCCCN(C)CCSSCCC.
What is the InChIKey of N-methyl-N-[2-(propyldisulfanyl)ethyl]nonan-1-amine?
The InChIKey is GZLSZZRLNOHIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NS2/c1-4-6-7-8-9-10-11-12-16(3)13-15-18-17-14-5-2/h4-15H2,1-3H3.
What are the key properties of N-methyl-N-[2-(propyldisulfanyl)ethyl]nonan-1-amine?
N-methyl-N-[2-(propyldisulfanyl)ethyl]nonan-1-amine has a molecular weight of 291.57 g/mol, XLogP of 5.46, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(propyldisulfanyl)ethyl]nonan-1-amine is sourced from PubChem (CID 176996000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).