N-prop-2-enyl-N-(2-propylsulfanylethyl)prop-2-en-1-amine

C11H21NS — CID 54074839

IUPACN-prop-2-enyl-N-(2-propylsulfanylethyl)prop-2-en-1-amine
SMILESC=CCN(CC=C)CCSCCC
InChIInChI=1S/C11H21NS/c1-4-7-12(8-5-2)9-11-13-10-6-3/h4-5H,1-2,6-11H2,3H3
InChIKeyMIYOELOAAWUKFJ-UHFFFAOYSA-N
MW199.36 g/mol
LogP2.80
Rot. Bonds9

About N-prop-2-enyl-N-(2-propylsulfanylethyl)prop-2-en-1-amine

N-prop-2-enyl-N-(2-propylsulfanylethyl)prop-2-en-1-amine (PubChem CID 54074839) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is N-prop-2-enyl-N-(2-propylsulfanylethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-prop-2-enyl-N-(2-propylsulfanylethyl)prop-2-en-1-amine
PubChem CID54074839
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC NameN-prop-2-enyl-N-(2-propylsulfanylethyl)prop-2-en-1-amine
SMILESC=CCN(CC=C)CCSCCC
InChIInChI=1S/C11H21NS/c1-4-7-12(8-5-2)9-11-13-10-6-3/h4-5H,1-2,6-11H2,3H3
InChIKeyMIYOELOAAWUKFJ-UHFFFAOYSA-N
XLogP2.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-N-(2-propylsulfanylethyl)prop-2-en-1-amine?
The IUPAC name of N-prop-2-enyl-N-(2-propylsulfanylethyl)prop-2-en-1-amine (CID 54074839) is N-prop-2-enyl-N-(2-propylsulfanylethyl)prop-2-en-1-amine.
What is the SMILES notation for N-prop-2-enyl-N-(2-propylsulfanylethyl)prop-2-en-1-amine?
The canonical SMILES for N-prop-2-enyl-N-(2-propylsulfanylethyl)prop-2-en-1-amine is C=CCN(CC=C)CCSCCC.
What is the InChIKey of N-prop-2-enyl-N-(2-propylsulfanylethyl)prop-2-en-1-amine?
The InChIKey is MIYOELOAAWUKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-4-7-12(8-5-2)9-11-13-10-6-3/h4-5H,1-2,6-11H2,3H3.
What are the key properties of N-prop-2-enyl-N-(2-propylsulfanylethyl)prop-2-en-1-amine?
N-prop-2-enyl-N-(2-propylsulfanylethyl)prop-2-en-1-amine has a molecular weight of 199.36 g/mol, XLogP of 2.80, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-N-(2-propylsulfanylethyl)prop-2-en-1-amine is sourced from PubChem (CID 54074839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).