N-[dimethyl(prop-2-enyl)-λ4-sulfanyl]-N-ethylethanamine

C9H21NS — CID 170210008

IUPACN-[dimethyl(prop-2-enyl)-λ4-sulfanyl]-N-ethylethanamine
SMILESC=CCS(C)(C)N(CC)CC
InChIInChI=1S/C9H21NS/c1-6-9-11(4,5)10(7-2)8-3/h6H,1,7-9H2,2-5H3
InChIKeyNDHFEWQHPZKGGZ-UHFFFAOYSA-N
MW175.34 g/mol
LogP2.49
Rot. Bonds5

About N-[dimethyl(prop-2-enyl)-λ4-sulfanyl]-N-ethylethanamine

N-[dimethyl(prop-2-enyl)-λ4-sulfanyl]-N-ethylethanamine (PubChem CID 170210008) has the molecular formula C9H21NS and a molecular weight of 175.34 g/mol. Its IUPAC name is N-[dimethyl(prop-2-enyl)-λ4-sulfanyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[dimethyl(prop-2-enyl)-λ4-sulfanyl]-N-ethylethanamine
PubChem CID170210008
Molecular FormulaC9H21NS
Molecular Weight175.34 g/mol
Exact Mass175.14
IUPAC NameN-[dimethyl(prop-2-enyl)-λ4-sulfanyl]-N-ethylethanamine
SMILESC=CCS(C)(C)N(CC)CC
InChIInChI=1S/C9H21NS/c1-6-9-11(4,5)10(7-2)8-3/h6H,1,7-9H2,2-5H3
InChIKeyNDHFEWQHPZKGGZ-UHFFFAOYSA-N
XLogP2.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.34
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[dimethyl(prop-2-enyl)-λ4-sulfanyl]-N-ethylethanamine?
The IUPAC name of N-[dimethyl(prop-2-enyl)-λ4-sulfanyl]-N-ethylethanamine (CID 170210008) is N-[dimethyl(prop-2-enyl)-λ4-sulfanyl]-N-ethylethanamine.
What is the SMILES notation for N-[dimethyl(prop-2-enyl)-λ4-sulfanyl]-N-ethylethanamine?
The canonical SMILES for N-[dimethyl(prop-2-enyl)-λ4-sulfanyl]-N-ethylethanamine is C=CCS(C)(C)N(CC)CC.
What is the InChIKey of N-[dimethyl(prop-2-enyl)-λ4-sulfanyl]-N-ethylethanamine?
The InChIKey is NDHFEWQHPZKGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NS/c1-6-9-11(4,5)10(7-2)8-3/h6H,1,7-9H2,2-5H3.
What are the key properties of N-[dimethyl(prop-2-enyl)-λ4-sulfanyl]-N-ethylethanamine?
N-[dimethyl(prop-2-enyl)-λ4-sulfanyl]-N-ethylethanamine has a molecular weight of 175.34 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dimethyl(prop-2-enyl)-λ4-sulfanyl]-N-ethylethanamine is sourced from PubChem (CID 170210008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).