ethane;N-methyl-N-propylnonan-1-amine;1-propylsulfanylpropane;6-propyltridecane

C37H83NS — CID 176555518

IUPACethane;N-methyl-N-propylnonan-1-amine;1-propylsulfanylpropane;6-propyltridecane
SMILESCC.CCCCCCCC(CCC)CCCCC.CCCCCCCCCN(C)CCC.CCCSCCC
InChIInChI=1S/C16H34.C13H29N.C6H14S.C2H6/c1-4-7-9-10-12-15-16(13-6-3)14-11-8-5-2;1-4-6-7-8-9-10-11-13-14(3)12-5-2;1-3-5-7-6-4-2;1-2/h16H,4-15H2,1-3H3;4-13H2,1-3H3;3-6H2,1-2H3;1-2H3
InChIKeyUAIULCGCEJDHIP-UHFFFAOYSA-N
MW574.15 g/mol
LogP13.99
Rot. Bonds26

About ethane;N-methyl-N-propylnonan-1-amine;1-propylsulfanylpropane;6-propyltridecane

ethane;N-methyl-N-propylnonan-1-amine;1-propylsulfanylpropane;6-propyltridecane (PubChem CID 176555518) has the molecular formula C37H83NS and a molecular weight of 574.15 g/mol. Its IUPAC name is ethane;N-methyl-N-propylnonan-1-amine;1-propylsulfanylpropane;6-propyltridecane.

Molecular Properties

Compound Nameethane;N-methyl-N-propylnonan-1-amine;1-propylsulfanylpropane;6-propyltridecane
PubChem CID176555518
Molecular FormulaC37H83NS
Molecular Weight574.15 g/mol
Exact Mass573.62
IUPAC Nameethane;N-methyl-N-propylnonan-1-amine;1-propylsulfanylpropane;6-propyltridecane
SMILESCC.CCCCCCCC(CCC)CCCCC.CCCCCCCCCN(C)CCC.CCCSCCC
InChIInChI=1S/C16H34.C13H29N.C6H14S.C2H6/c1-4-7-9-10-12-15-16(13-6-3)14-11-8-5-2;1-4-6-7-8-9-10-11-13-14(3)12-5-2;1-3-5-7-6-4-2;1-2/h16H,4-15H2,1-3H3;4-13H2,1-3H3;3-6H2,1-2H3;1-2H3
InChIKeyUAIULCGCEJDHIP-UHFFFAOYSA-N
XLogP13.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds26
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.15
LogP ≤ 513.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tetra(2-ethylhexyl)thiuramdisulfide
CID 129887576
6-Decylsulfanylhexyl-hexadecyl-dimethylazanium
CID 14625667
1-[Ethanethioyl(12-methyltridecyl)amino]propan-2-yl hexadecanedithioate
CID 87966798
N,N-diethyl-2-(methylsulfanylmethyl)heptan-1-amine
CID 91322949
2-methylnonane;N-methyl-N-propylpropan-1-amine;1-propylsulfanylpropane
CID 91482705
4-[(4S)-4-ethyl-7,7-dimethyloctyl]thiomorpholine
CID 118887662
4-[(4R)-4-ethyl-7,7-dimethyloctyl]thiomorpholine
CID 118887664
4-[(5S)-5-ethyl-8,8-dimethylnonyl]thiomorpholine
CID 118887736
4-[(5R)-5-ethyl-8,8-dimethylnonyl]thiomorpholine
CID 118887737
4-[(6S)-6-ethyl-9,9-dimethyldecyl]thiomorpholine
CID 118887812
4-[(6R)-6-ethyl-9,9-dimethyldecyl]thiomorpholine
CID 118887814
N-methyl-N-[1-[4-methyl-4-(2-methylpropyl)octyl]sulfanylpropyl]butan-1-amine
CID 123345204

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-N-propylnonan-1-amine;1-propylsulfanylpropane;6-propyltridecane?
The IUPAC name of ethane;N-methyl-N-propylnonan-1-amine;1-propylsulfanylpropane;6-propyltridecane (CID 176555518) is ethane;N-methyl-N-propylnonan-1-amine;1-propylsulfanylpropane;6-propyltridecane.
What is the SMILES notation for ethane;N-methyl-N-propylnonan-1-amine;1-propylsulfanylpropane;6-propyltridecane?
The canonical SMILES for ethane;N-methyl-N-propylnonan-1-amine;1-propylsulfanylpropane;6-propyltridecane is CC.CCCCCCCC(CCC)CCCCC.CCCCCCCCCN(C)CCC.CCCSCCC.
What is the InChIKey of ethane;N-methyl-N-propylnonan-1-amine;1-propylsulfanylpropane;6-propyltridecane?
The InChIKey is UAIULCGCEJDHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34.C13H29N.C6H14S.C2H6/c1-4-7-9-10-12-15-16(13-6-3)14-11-8-5-2;1-4-6-7-8-9-10-11-13-14(3)12-5-2;1-3-5-7-6-4-2;1-2/h16H,4-15H2,1-3H3;4-13H2,1-3H3;3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;N-methyl-N-propylnonan-1-amine;1-propylsulfanylpropane;6-propyltridecane?
ethane;N-methyl-N-propylnonan-1-amine;1-propylsulfanylpropane;6-propyltridecane has a molecular weight of 574.15 g/mol, XLogP of 13.99, 26 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-N-propylnonan-1-amine;1-propylsulfanylpropane;6-propyltridecane is sourced from PubChem (CID 176555518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).