N,N-diethyl-1-(methylsulfanylmethyl)cyclopropan-1-amine

C9H19NS — CID 90131363

IUPACN,N-diethyl-1-(methylsulfanylmethyl)cyclopropan-1-amine
SMILESCCN(CC)C1(CSC)CC1
InChIInChI=1S/C9H19NS/c1-4-10(5-2)9(6-7-9)8-11-3/h4-8H2,1-3H3
InChIKeyGLDXKUGGEDMKMV-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.22
Rot. Bonds5

About N,N-diethyl-1-(methylsulfanylmethyl)cyclopropan-1-amine

N,N-diethyl-1-(methylsulfanylmethyl)cyclopropan-1-amine (PubChem CID 90131363) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is N,N-diethyl-1-(methylsulfanylmethyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-1-(methylsulfanylmethyl)cyclopropan-1-amine
PubChem CID90131363
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC NameN,N-diethyl-1-(methylsulfanylmethyl)cyclopropan-1-amine
SMILESCCN(CC)C1(CSC)CC1
InChIInChI=1S/C9H19NS/c1-4-10(5-2)9(6-7-9)8-11-3/h4-8H2,1-3H3
InChIKeyGLDXKUGGEDMKMV-UHFFFAOYSA-N
XLogP2.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-(methylsulfanylmethyl)cyclopropan-1-amine?
The IUPAC name of N,N-diethyl-1-(methylsulfanylmethyl)cyclopropan-1-amine (CID 90131363) is N,N-diethyl-1-(methylsulfanylmethyl)cyclopropan-1-amine.
What is the SMILES notation for N,N-diethyl-1-(methylsulfanylmethyl)cyclopropan-1-amine?
The canonical SMILES for N,N-diethyl-1-(methylsulfanylmethyl)cyclopropan-1-amine is CCN(CC)C1(CSC)CC1.
What is the InChIKey of N,N-diethyl-1-(methylsulfanylmethyl)cyclopropan-1-amine?
The InChIKey is GLDXKUGGEDMKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-4-10(5-2)9(6-7-9)8-11-3/h4-8H2,1-3H3.
What are the key properties of N,N-diethyl-1-(methylsulfanylmethyl)cyclopropan-1-amine?
N,N-diethyl-1-(methylsulfanylmethyl)cyclopropan-1-amine has a molecular weight of 173.32 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-(methylsulfanylmethyl)cyclopropan-1-amine is sourced from PubChem (CID 90131363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).