N,N-diethyl-N'-methylethanimidamide;ethane;propane-1-thiol

C12H30N2S — CID 156751234

IUPACN,N-diethyl-N'-methylethanimidamide;ethane;propane-1-thiol
SMILESCC.CCCS.CCN(CC)/C(C)=N/C
InChIInChI=1S/C7H16N2.C3H8S.C2H6/c1-5-9(6-2)7(3)8-4;1-2-3-4;1-2/h5-6H2,1-4H3;4H,2-3H2,1H3;1-2H3/b8-7+;;
InChIKeyMUEKVPKBQZDZFO-MIIBGCIDSA-N
MW234.45 g/mol
LogP3.73
Rot. Bonds3

About N,N-diethyl-N'-methylethanimidamide;ethane;propane-1-thiol

N,N-diethyl-N'-methylethanimidamide;ethane;propane-1-thiol (PubChem CID 156751234) has the molecular formula C12H30N2S and a molecular weight of 234.45 g/mol. Its IUPAC name is N,N-diethyl-N'-methylethanimidamide;ethane;propane-1-thiol.

Molecular Properties

Compound NameN,N-diethyl-N'-methylethanimidamide;ethane;propane-1-thiol
PubChem CID156751234
Molecular FormulaC12H30N2S
Molecular Weight234.45 g/mol
Exact Mass234.21
IUPAC NameN,N-diethyl-N'-methylethanimidamide;ethane;propane-1-thiol
SMILESCC.CCCS.CCN(CC)/C(C)=N/C
InChIInChI=1S/C7H16N2.C3H8S.C2H6/c1-5-9(6-2)7(3)8-4;1-2-3-4;1-2/h5-6H2,1-4H3;4H,2-3H2,1H3;1-2H3/b8-7+;;
InChIKeyMUEKVPKBQZDZFO-MIIBGCIDSA-N
XLogP3.73
TPSA15.60 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.45
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N'-butyl-2-butylsulfanyl-N,N-diethylethanimidamide
CID 12386447
1-(C,N-dimethylcarbonimidoyl)azetidine-3-thiol
CID 19069722
(1-Methyl-4,5-dihydroimidazol-2-yl)methanethiol
CID 57292405
N,N-dimethyl-N'-(6-sulfanylhexyl)ethanimidamide
CID 117967936
N'-ethylsulfanyl-N,N-di(propan-2-yl)ethanimidamide
CID 123301072
N,N'-diethyl-N-(ethylsulfanylmethyl)ethanimidamide
CID 123463688
N-ethylsulfanyl-N-methyl-N'-propylethanimidamide
CID 138571649
N,N'-dimethyl-N-(3-sulfanylpropyl)ethanimidamide;ethane
CID 156861475
(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)methanethiol
CID 163429469
N-propan-2-yl-N,N'-bis(sulfanylmethyl)ethanimidamide
CID 164812943
ethane;N-ethyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide
CID 170645840
2-(2-Methyl-4,5-dihydroimidazol-1-yl)ethanethiol
CID 85809759

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-N'-methylethanimidamide;ethane;propane-1-thiol?
The IUPAC name of N,N-diethyl-N'-methylethanimidamide;ethane;propane-1-thiol (CID 156751234) is N,N-diethyl-N'-methylethanimidamide;ethane;propane-1-thiol.
What is the SMILES notation for N,N-diethyl-N'-methylethanimidamide;ethane;propane-1-thiol?
The canonical SMILES for N,N-diethyl-N'-methylethanimidamide;ethane;propane-1-thiol is CC.CCCS.CCN(CC)/C(C)=N/C.
What is the InChIKey of N,N-diethyl-N'-methylethanimidamide;ethane;propane-1-thiol?
The InChIKey is MUEKVPKBQZDZFO-MIIBGCIDSA-N. The full InChI is InChI=1S/C7H16N2.C3H8S.C2H6/c1-5-9(6-2)7(3)8-4;1-2-3-4;1-2/h5-6H2,1-4H3;4H,2-3H2,1H3;1-2H3/b8-7+;;.
What are the key properties of N,N-diethyl-N'-methylethanimidamide;ethane;propane-1-thiol?
N,N-diethyl-N'-methylethanimidamide;ethane;propane-1-thiol has a molecular weight of 234.45 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-N'-methylethanimidamide;ethane;propane-1-thiol is sourced from PubChem (CID 156751234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).