N-(1-methylsulfanylethenyl)-N-octyloctan-1-amine

C19H39NS — CID 145283930

IUPACN-(1-methylsulfanylethenyl)-N-octyloctan-1-amine
SMILESC=C(SC)N(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C19H39NS/c1-5-7-9-11-13-15-17-20(19(3)21-4)18-16-14-12-10-8-6-2/h3,5-18H2,1-2,4H3
InChIKeyLGOCKYXUNLMETR-UHFFFAOYSA-N
MW313.59 g/mol
LogP6.84
Rot. Bonds16

About N-(1-methylsulfanylethenyl)-N-octyloctan-1-amine

N-(1-methylsulfanylethenyl)-N-octyloctan-1-amine (PubChem CID 145283930) has the molecular formula C19H39NS and a molecular weight of 313.59 g/mol. Its IUPAC name is N-(1-methylsulfanylethenyl)-N-octyloctan-1-amine.

Molecular Properties

Compound NameN-(1-methylsulfanylethenyl)-N-octyloctan-1-amine
PubChem CID145283930
Molecular FormulaC19H39NS
Molecular Weight313.59 g/mol
Exact Mass313.28
IUPAC NameN-(1-methylsulfanylethenyl)-N-octyloctan-1-amine
SMILESC=C(SC)N(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C19H39NS/c1-5-7-9-11-13-15-17-20(19(3)21-4)18-16-14-12-10-8-6-2/h3,5-18H2,1-2,4H3
InChIKeyLGOCKYXUNLMETR-UHFFFAOYSA-N
XLogP6.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.59
LogP ≤ 56.84
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

CID 22164562
CID 22164562
N,N-dimethyldodecan-1-amine;hypobromous acid
CID 175692920
tetrakis(N,N-di(tetradecyl)carbamodithioate);molybdenum(4+)
CID 139855060
hexakis(N,N-dihexylcarbamodithioate);molybdenum
CID 18926193
tetrakis(N-dodecyl-N-hexadecylcarbamodithioate);molybdenum(4+)
CID 141332595
sodium N,N-dihexylcarbamodithioate
CID 23671974
N,N,N',N'-tetrahexyloxamide
CID 6424911
N-butyl-2-methyl-N-octylprop-2-enamide
CID 20743986
1-(dioctylcarbamoyl)-1-methyl-3,3-dioctylurea
CID 142318742
N-heptadecyl-N-tridecylacetamide
CID 172567567
N,N-di(icosyl)acetamide
CID 57063838
hexyl(octadecyl)carbamic acid
CID 87702094

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfanylethenyl)-N-octyloctan-1-amine?
The IUPAC name of N-(1-methylsulfanylethenyl)-N-octyloctan-1-amine (CID 145283930) is N-(1-methylsulfanylethenyl)-N-octyloctan-1-amine.
What is the SMILES notation for N-(1-methylsulfanylethenyl)-N-octyloctan-1-amine?
The canonical SMILES for N-(1-methylsulfanylethenyl)-N-octyloctan-1-amine is C=C(SC)N(CCCCCCCC)CCCCCCCC.
What is the InChIKey of N-(1-methylsulfanylethenyl)-N-octyloctan-1-amine?
The InChIKey is LGOCKYXUNLMETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NS/c1-5-7-9-11-13-15-17-20(19(3)21-4)18-16-14-12-10-8-6-2/h3,5-18H2,1-2,4H3.
What are the key properties of N-(1-methylsulfanylethenyl)-N-octyloctan-1-amine?
N-(1-methylsulfanylethenyl)-N-octyloctan-1-amine has a molecular weight of 313.59 g/mol, XLogP of 6.84, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfanylethenyl)-N-octyloctan-1-amine is sourced from PubChem (CID 145283930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).