N,N-dimethyl-2-pyridin-2-ylethanamine;methane;methoxymethane;methylsulfanylmethane;methylsulfanyloxymethane;propane

C23H60N2O2S2 — CID 161188319

IUPACN,N-dimethyl-2-pyridin-2-ylethanamine;methane;methoxymethane;methylsulfanylmethane;methylsulfanyloxymethane;propane
SMILESC.C.C.C.C.CCC.CN(C)CCc1ccccn1.COC.COSC.CSC
InChIInChI=1S/C9H14N2.C3H8.C2H6OS.C2H6O.C2H6S.5CH4/c1-11(2)8-6-9-5-3-4-7-10-9;1-3-2;1-3-4-2;2*1-3-2;;;;;/h3-5,7H,6,8H2,1-2H3;3H2,1-2H3;1-2H3;2*1-2H3;5*1H4
InChIKeyUTJNCIVTQVWODA-UHFFFAOYSA-N
MW460.88 g/mol
LogP7.94
Rot. Bonds4

About N,N-dimethyl-2-pyridin-2-ylethanamine;methane;methoxymethane;methylsulfanylmethane;methylsulfanyloxymethane;propane

N,N-dimethyl-2-pyridin-2-ylethanamine;methane;methoxymethane;methylsulfanylmethane;methylsulfanyloxymethane;propane (PubChem CID 161188319) has the molecular formula C23H60N2O2S2 and a molecular weight of 460.88 g/mol. Its IUPAC name is N,N-dimethyl-2-pyridin-2-ylethanamine;methane;methoxymethane;methylsulfanylmethane;methylsulfanyloxymethane;propane.

Molecular Properties

Compound NameN,N-dimethyl-2-pyridin-2-ylethanamine;methane;methoxymethane;methylsulfanylmethane;methylsulfanyloxymethane;propane
PubChem CID161188319
Molecular FormulaC23H60N2O2S2
Molecular Weight460.88 g/mol
Exact Mass460.41
IUPAC NameN,N-dimethyl-2-pyridin-2-ylethanamine;methane;methoxymethane;methylsulfanylmethane;methylsulfanyloxymethane;propane
SMILESC.C.C.C.C.CCC.CN(C)CCc1ccccn1.COC.COSC.CSC
InChIInChI=1S/C9H14N2.C3H8.C2H6OS.C2H6O.C2H6S.5CH4/c1-11(2)8-6-9-5-3-4-7-10-9;1-3-2;1-3-4-2;2*1-3-2;;;;;/h3-5,7H,6,8H2,1-2H3;3H2,1-2H3;1-2H3;2*1-2H3;5*1H4
InChIKeyUTJNCIVTQVWODA-UHFFFAOYSA-N
XLogP7.94
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.88
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-2-pyridin-2-ylethanamine;methane;methoxymethane;methylsulfanylmethane;methylsulfanyloxymethane;propane with MolForge

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Related Compounds

N-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 21307320
ethane;N-methyl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 142585406
2-(dimethylamino)ethanol;ethane;2-pyridin-2-ylethanol
CID 168995371
N-methyl-2-pyridin-2-yl-N-trimethylsilylethanamine
CID 91709658
methyl(2-pyridin-2-ylethyl)carbamodithioic acid
CID 88510653
N-methyl-N-[(2-methylpropan-2-yl)oxy]-2-pyridin-2-ylethanamine
CID 162487755
N-[dideuterio(pyridin-2-yl)methyl]-N-ethyl-2-pyridin-2-ylethanamine
CID 101128708
N-methyl-N-(2-pyridin-2-ylethyl)prop-1-en-2-amine
CID 178172839
3-ethyl-2-N-methyl-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine
CID 43187234
1-[methyl(2-pyridin-2-ylethyl)amino]pentan-2-ol
CID 62042147
phenyl N-methyl-N-(2-pyridin-2-ylethyl)carbamate
CID 60681158
trimethoxy(2-pyridin-2-ylethyl)silane
CID 158126739

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-pyridin-2-ylethanamine;methane;methoxymethane;methylsulfanylmethane;methylsulfanyloxymethane;propane?
The IUPAC name of N,N-dimethyl-2-pyridin-2-ylethanamine;methane;methoxymethane;methylsulfanylmethane;methylsulfanyloxymethane;propane (CID 161188319) is N,N-dimethyl-2-pyridin-2-ylethanamine;methane;methoxymethane;methylsulfanylmethane;methylsulfanyloxymethane;propane.
What is the SMILES notation for N,N-dimethyl-2-pyridin-2-ylethanamine;methane;methoxymethane;methylsulfanylmethane;methylsulfanyloxymethane;propane?
The canonical SMILES for N,N-dimethyl-2-pyridin-2-ylethanamine;methane;methoxymethane;methylsulfanylmethane;methylsulfanyloxymethane;propane is C.C.C.C.C.CCC.CN(C)CCc1ccccn1.COC.COSC.CSC.
What is the InChIKey of N,N-dimethyl-2-pyridin-2-ylethanamine;methane;methoxymethane;methylsulfanylmethane;methylsulfanyloxymethane;propane?
The InChIKey is UTJNCIVTQVWODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.C3H8.C2H6OS.C2H6O.C2H6S.5CH4/c1-11(2)8-6-9-5-3-4-7-10-9;1-3-2;1-3-4-2;2*1-3-2;;;;;/h3-5,7H,6,8H2,1-2H3;3H2,1-2H3;1-2H3;2*1-2H3;5*1H4.
What are the key properties of N,N-dimethyl-2-pyridin-2-ylethanamine;methane;methoxymethane;methylsulfanylmethane;methylsulfanyloxymethane;propane?
N,N-dimethyl-2-pyridin-2-ylethanamine;methane;methoxymethane;methylsulfanylmethane;methylsulfanyloxymethane;propane has a molecular weight of 460.88 g/mol, XLogP of 7.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-pyridin-2-ylethanamine;methane;methoxymethane;methylsulfanylmethane;methylsulfanyloxymethane;propane is sourced from PubChem (CID 161188319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).