N,N-diethyl-3-methylsulfanylpropan-1-amine

C8H19NS — CID 88936762

IUPACN,N-diethyl-3-methylsulfanylpropan-1-amine
SMILESCCN(CC)CCCSC
InChIInChI=1S/C8H19NS/c1-4-9(5-2)7-6-8-10-3/h4-8H2,1-3H3
InChIKeyIQTNTPJCHKNKDN-UHFFFAOYSA-N
MW161.31 g/mol
LogP2.08
Rot. Bonds6

About N,N-diethyl-3-methylsulfanylpropan-1-amine

N,N-diethyl-3-methylsulfanylpropan-1-amine (PubChem CID 88936762) has the molecular formula C8H19NS and a molecular weight of 161.31 g/mol. Its IUPAC name is N,N-diethyl-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3-methylsulfanylpropan-1-amine
PubChem CID88936762
Molecular FormulaC8H19NS
Molecular Weight161.31 g/mol
Exact Mass161.12
IUPAC NameN,N-diethyl-3-methylsulfanylpropan-1-amine
SMILESCCN(CC)CCCSC
InChIInChI=1S/C8H19NS/c1-4-9(5-2)7-6-8-10-3/h4-8H2,1-3H3
InChIKeyIQTNTPJCHKNKDN-UHFFFAOYSA-N
XLogP2.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.31
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-methylsulfanylpropan-1-amine?
The IUPAC name of N,N-diethyl-3-methylsulfanylpropan-1-amine (CID 88936762) is N,N-diethyl-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for N,N-diethyl-3-methylsulfanylpropan-1-amine?
The canonical SMILES for N,N-diethyl-3-methylsulfanylpropan-1-amine is CCN(CC)CCCSC.
What is the InChIKey of N,N-diethyl-3-methylsulfanylpropan-1-amine?
The InChIKey is IQTNTPJCHKNKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NS/c1-4-9(5-2)7-6-8-10-3/h4-8H2,1-3H3.
What are the key properties of N,N-diethyl-3-methylsulfanylpropan-1-amine?
N,N-diethyl-3-methylsulfanylpropan-1-amine has a molecular weight of 161.31 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 88936762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).