ethane;1-methylimino-4-methylsulfanylbutan-2-amine

C8H20N2S — CID 142239476

IUPACethane;1-methylimino-4-methylsulfanylbutan-2-amine
SMILESC/N=C/C(N)CCSC.CC
InChIInChI=1S/C6H14N2S.C2H6/c1-8-5-6(7)3-4-9-2;1-2/h5-6H,3-4,7H2,1-2H3;1-2H3/b8-5+;
InChIKeyXZIBVLJKFVZIQA-HAAWTFQLSA-N
MW176.33 g/mol
LogP1.79
Rot. Bonds4

About ethane;1-methylimino-4-methylsulfanylbutan-2-amine

ethane;1-methylimino-4-methylsulfanylbutan-2-amine (PubChem CID 142239476) has the molecular formula C8H20N2S and a molecular weight of 176.33 g/mol. Its IUPAC name is ethane;1-methylimino-4-methylsulfanylbutan-2-amine.

Molecular Properties

Compound Nameethane;1-methylimino-4-methylsulfanylbutan-2-amine
PubChem CID142239476
Molecular FormulaC8H20N2S
Molecular Weight176.33 g/mol
Exact Mass176.13
IUPAC Nameethane;1-methylimino-4-methylsulfanylbutan-2-amine
SMILESC/N=C/C(N)CCSC.CC
InChIInChI=1S/C6H14N2S.C2H6/c1-8-5-6(7)3-4-9-2;1-2/h5-6H,3-4,7H2,1-2H3;1-2H3/b8-5+;
InChIKeyXZIBVLJKFVZIQA-HAAWTFQLSA-N
XLogP1.79
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-5-methylsulfanylpent-1-en-3-amine
CID 88911302
1-methylimino-4-phosphanylbutan-2-amine
CID 155417460
2-amino-4-methylsulfanylbutanenitrile;ethane;molecular hydrogen
CID 142227893
2-amino-4-methylsulfanylbutanenitrile;hydrate
CID 141354426
(2S)-2-amino-4-methylsulfanylbutanamide;cobalt
CID 174423954
4,4-dimethyl-1-methylsulfanylpentan-3-amine
CID 58482801
(2S)-2-amino-4-methylsulfanylbutanoic acid;guanidine
CID 157213909
4-amino-2-methyl-6-methylsulfanylhexan-3-one;ethane
CID 142239470
(2S)-2-amino-4-methylsulfanylbutanoic acid;prop-2-enamide
CID 87308343
(2R)-2-(15N)azanyl-4-methylsulfanylbutanoic acid
CID 150150636
2-[(1-cyano-3-methylsulfanylpropyl)amino]-4-methylsulfanylbutanenitrile
CID 22908329
(2S)-2-(15N)azanyl-4-(113C)methylsulfanylbutanoic acid
CID 131708710

Frequently Asked Questions

What is the IUPAC name of ethane;1-methylimino-4-methylsulfanylbutan-2-amine?
The IUPAC name of ethane;1-methylimino-4-methylsulfanylbutan-2-amine (CID 142239476) is ethane;1-methylimino-4-methylsulfanylbutan-2-amine.
What is the SMILES notation for ethane;1-methylimino-4-methylsulfanylbutan-2-amine?
The canonical SMILES for ethane;1-methylimino-4-methylsulfanylbutan-2-amine is C/N=C/C(N)CCSC.CC.
What is the InChIKey of ethane;1-methylimino-4-methylsulfanylbutan-2-amine?
The InChIKey is XZIBVLJKFVZIQA-HAAWTFQLSA-N. The full InChI is InChI=1S/C6H14N2S.C2H6/c1-8-5-6(7)3-4-9-2;1-2/h5-6H,3-4,7H2,1-2H3;1-2H3/b8-5+;.
What are the key properties of ethane;1-methylimino-4-methylsulfanylbutan-2-amine?
ethane;1-methylimino-4-methylsulfanylbutan-2-amine has a molecular weight of 176.33 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methylimino-4-methylsulfanylbutan-2-amine is sourced from PubChem (CID 142239476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).