N-(3-methylsulfanylbutyl)ethanimine

C7H15NS — CID 134429979

IUPACN-(3-methylsulfanylbutyl)ethanimine
SMILESC/C=N/CCC(C)SC
InChIInChI=1S/C7H15NS/c1-4-8-6-5-7(2)9-3/h4,7H,5-6H2,1-3H3/b8-4+
InChIKeyKUIZTBFFLGINNB-XBXARRHUSA-N
MW145.27 g/mol
LogP2.22
Rot. Bonds4

About N-(3-methylsulfanylbutyl)ethanimine

N-(3-methylsulfanylbutyl)ethanimine (PubChem CID 134429979) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is N-(3-methylsulfanylbutyl)ethanimine.

Molecular Properties

Compound NameN-(3-methylsulfanylbutyl)ethanimine
PubChem CID134429979
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC NameN-(3-methylsulfanylbutyl)ethanimine
SMILESC/C=N/CCC(C)SC
InChIInChI=1S/C7H15NS/c1-4-8-6-5-7(2)9-3/h4,7H,5-6H2,1-3H3/b8-4+
InChIKeyKUIZTBFFLGINNB-XBXARRHUSA-N
XLogP2.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 162352708
CID 162352708
N-(3-pyrrolidin-1-ylbutyl)ethanimine
CID 123254325
3-methylsulfanylbutane-1-thiol
CID 173367165
(3S)-3-methylsulfanylbutan-1-amine
CID 51892089
N'-[5-(ethylideneamino)-3-formylpentyl]methanimidamide
CID 177007968
2,2-dimethyl-5-methylsulfanylhexane
CID 58033907
4-methylsulfanylpentanenitrile
CID 126971417
1,5-bis(methylsulfanyl)hexane
CID 56988432
(4R)-4-methylsulfanylpentanoic acid
CID 94375114
N-butylethanimine;ethane
CID 142024896
(2S)-2-amino-N-(3-methylsulfanylbutyl)pentanamide
CID 107570665
2-methylsulfanyl-1-prop-2-enoxypropane
CID 89197901

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylbutyl)ethanimine?
The IUPAC name of N-(3-methylsulfanylbutyl)ethanimine (CID 134429979) is N-(3-methylsulfanylbutyl)ethanimine.
What is the SMILES notation for N-(3-methylsulfanylbutyl)ethanimine?
The canonical SMILES for N-(3-methylsulfanylbutyl)ethanimine is C/C=N/CCC(C)SC.
What is the InChIKey of N-(3-methylsulfanylbutyl)ethanimine?
The InChIKey is KUIZTBFFLGINNB-XBXARRHUSA-N. The full InChI is InChI=1S/C7H15NS/c1-4-8-6-5-7(2)9-3/h4,7H,5-6H2,1-3H3/b8-4+.
What are the key properties of N-(3-methylsulfanylbutyl)ethanimine?
N-(3-methylsulfanylbutyl)ethanimine has a molecular weight of 145.27 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylbutyl)ethanimine is sourced from PubChem (CID 134429979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).