N-ethyl-N-(3-methylsulfanylpropyl)azetidin-3-amine

C9H20N2S — CID 66182079

IUPACN-ethyl-N-(3-methylsulfanylpropyl)azetidin-3-amine
SMILESCCN(CCCSC)C1CNC1
InChIInChI=1S/C9H20N2S/c1-3-11(5-4-6-12-2)9-7-10-8-9/h9-10H,3-8H2,1-2H3
InChIKeyYIDKSVUNSDINGZ-UHFFFAOYSA-N
MW188.34 g/mol
LogP1.03
Rot. Bonds6

About N-ethyl-N-(3-methylsulfanylpropyl)azetidin-3-amine

N-ethyl-N-(3-methylsulfanylpropyl)azetidin-3-amine (PubChem CID 66182079) has the molecular formula C9H20N2S and a molecular weight of 188.34 g/mol. Its IUPAC name is N-ethyl-N-(3-methylsulfanylpropyl)azetidin-3-amine.

Molecular Properties

Compound NameN-ethyl-N-(3-methylsulfanylpropyl)azetidin-3-amine
PubChem CID66182079
Molecular FormulaC9H20N2S
Molecular Weight188.34 g/mol
Exact Mass188.13
IUPAC NameN-ethyl-N-(3-methylsulfanylpropyl)azetidin-3-amine
SMILESCCN(CCCSC)C1CNC1
InChIInChI=1S/C9H20N2S/c1-3-11(5-4-6-12-2)9-7-10-8-9/h9-10H,3-8H2,1-2H3
InChIKeyYIDKSVUNSDINGZ-UHFFFAOYSA-N
XLogP1.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-(3-methylsulfanylpropyl)pyrrolidin-3-amine
CID 63299689
N-ethyl-N-(4,4,4-trifluorobutyl)azetidin-3-amine
CID 115514933
N-(2-cyclopropylethyl)-N-ethylazetidin-3-amine
CID 66181540
N-ethyl-N-(3-methylbutyl)azetidin-3-amine
CID 66182506
3-[azetidin-3-yl(propyl)amino]propan-1-ol
CID 66215108
N-(2-butoxyethyl)-N-ethylazetidin-3-amine
CID 66182391
N-ethyl-N-pent-3-ynylazetidin-3-amine
CID 104809046
N-ethyl-N-pentylpyrrolidin-3-amine
CID 63299512
N-ethyl-N-nonylpyrrolidin-3-amine
CID 63300432
2-[azetidin-3-yl(butyl)amino]ethanol
CID 79467930
N-ethyl-N-(2-phenylethyl)azetidin-3-amine
CID 66182276
N-ethyl-N-propylpiperidin-3-amine
CID 43317075

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylsulfanylpropyl)azetidin-3-amine?
The IUPAC name of N-ethyl-N-(3-methylsulfanylpropyl)azetidin-3-amine (CID 66182079) is N-ethyl-N-(3-methylsulfanylpropyl)azetidin-3-amine.
What is the SMILES notation for N-ethyl-N-(3-methylsulfanylpropyl)azetidin-3-amine?
The canonical SMILES for N-ethyl-N-(3-methylsulfanylpropyl)azetidin-3-amine is CCN(CCCSC)C1CNC1.
What is the InChIKey of N-ethyl-N-(3-methylsulfanylpropyl)azetidin-3-amine?
The InChIKey is YIDKSVUNSDINGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2S/c1-3-11(5-4-6-12-2)9-7-10-8-9/h9-10H,3-8H2,1-2H3.
What are the key properties of N-ethyl-N-(3-methylsulfanylpropyl)azetidin-3-amine?
N-ethyl-N-(3-methylsulfanylpropyl)azetidin-3-amine has a molecular weight of 188.34 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylsulfanylpropyl)azetidin-3-amine is sourced from PubChem (CID 66182079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).