N-(ethylsulfanylmethyl)-N,2,4-trimethylnonan-1-amine

C15H33NS — CID 123528253

IUPACN-(ethylsulfanylmethyl)-N,2,4-trimethylnonan-1-amine
SMILESCCCCCC(C)CC(C)CN(C)CSCC
InChIInChI=1S/C15H33NS/c1-6-8-9-10-14(3)11-15(4)12-16(5)13-17-7-2/h14-15H,6-13H2,1-5H3
InChIKeyOVESRVMQKIZCKU-UHFFFAOYSA-N
MW259.50 g/mol
LogP4.87
Rot. Bonds11

About N-(ethylsulfanylmethyl)-N,2,4-trimethylnonan-1-amine

N-(ethylsulfanylmethyl)-N,2,4-trimethylnonan-1-amine (PubChem CID 123528253) has the molecular formula C15H33NS and a molecular weight of 259.50 g/mol. Its IUPAC name is N-(ethylsulfanylmethyl)-N,2,4-trimethylnonan-1-amine.

Molecular Properties

Compound NameN-(ethylsulfanylmethyl)-N,2,4-trimethylnonan-1-amine
PubChem CID123528253
Molecular FormulaC15H33NS
Molecular Weight259.50 g/mol
Exact Mass259.23
IUPAC NameN-(ethylsulfanylmethyl)-N,2,4-trimethylnonan-1-amine
SMILESCCCCCC(C)CC(C)CN(C)CSCC
InChIInChI=1S/C15H33NS/c1-6-8-9-10-14(3)11-15(4)12-16(5)13-17-7-2/h14-15H,6-13H2,1-5H3
InChIKeyOVESRVMQKIZCKU-UHFFFAOYSA-N
XLogP4.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.50
LogP ≤ 54.87
H-Bond Donors ≤ 50
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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Related Compounds

Decyl-(ethylsulfanylmethyl)-dimethylazanium
CID 14625677
N,N-diethyl-2-(methylsulfanylmethyl)heptan-1-amine
CID 91322949
N,N,2-trimethyl-1-methylsulfanylhexan-1-amine
CID 123172580
N-methyl-N-[1-[4-methyl-4-(2-methylpropyl)octyl]sulfanylpropyl]butan-1-amine
CID 123345204
N,2,4-trimethyl-N-(1-methylsulfanylethyl)heptan-3-amine
CID 123347537
2-[methyl-[(5S)-5-methyloctadecyl]amino]ethanethiol
CID 139337957
Ethane;4-(3-methylbutyl)-1-(2-methylsulfanylethyl)piperidine
CID 144433312
(2R)-2-[(dimethylamino)methyl]-3-methyloctane-1-thiol
CID 155158003
4-(2-Butyloctyl)thiomorpholine
CID 156106064
(6R)-N,6-dimethyl-5-(3-methylsulfanylpropyl)-N-propyloctan-1-amine
CID 163436500
(3S,4R)-N,N,2,5,6-pentamethyl-3-methylsulfanyloctan-4-amine
CID 166687282
(4R)-N,N,10-trimethyl-4-propyl-8-propylsulfanylundecan-1-amine
CID 166930899

Frequently Asked Questions

What is the IUPAC name of N-(ethylsulfanylmethyl)-N,2,4-trimethylnonan-1-amine?
The IUPAC name of N-(ethylsulfanylmethyl)-N,2,4-trimethylnonan-1-amine (CID 123528253) is N-(ethylsulfanylmethyl)-N,2,4-trimethylnonan-1-amine.
What is the SMILES notation for N-(ethylsulfanylmethyl)-N,2,4-trimethylnonan-1-amine?
The canonical SMILES for N-(ethylsulfanylmethyl)-N,2,4-trimethylnonan-1-amine is CCCCCC(C)CC(C)CN(C)CSCC.
What is the InChIKey of N-(ethylsulfanylmethyl)-N,2,4-trimethylnonan-1-amine?
The InChIKey is OVESRVMQKIZCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NS/c1-6-8-9-10-14(3)11-15(4)12-16(5)13-17-7-2/h14-15H,6-13H2,1-5H3.
What are the key properties of N-(ethylsulfanylmethyl)-N,2,4-trimethylnonan-1-amine?
N-(ethylsulfanylmethyl)-N,2,4-trimethylnonan-1-amine has a molecular weight of 259.50 g/mol, XLogP of 4.87, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylsulfanylmethyl)-N,2,4-trimethylnonan-1-amine is sourced from PubChem (CID 123528253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).