N-ethyl-N-propan-2-yl-3-prop-2-enylsulfanylpropan-1-amine

C11H23NS — CID 170036244

IUPACN-ethyl-N-propan-2-yl-3-prop-2-enylsulfanylpropan-1-amine
SMILESC=CCSCCCN(CC)C(C)C
InChIInChI=1S/C11H23NS/c1-5-9-13-10-7-8-12(6-2)11(3)4/h5,11H,1,6-10H2,2-4H3
InChIKeyGDCYUHHFOMVZMX-UHFFFAOYSA-N
MW201.38 g/mol
LogP3.03
Rot. Bonds8

About N-ethyl-N-propan-2-yl-3-prop-2-enylsulfanylpropan-1-amine

N-ethyl-N-propan-2-yl-3-prop-2-enylsulfanylpropan-1-amine (PubChem CID 170036244) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is N-ethyl-N-propan-2-yl-3-prop-2-enylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-propan-2-yl-3-prop-2-enylsulfanylpropan-1-amine
PubChem CID170036244
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC NameN-ethyl-N-propan-2-yl-3-prop-2-enylsulfanylpropan-1-amine
SMILESC=CCSCCCN(CC)C(C)C
InChIInChI=1S/C11H23NS/c1-5-9-13-10-7-8-12(6-2)11(3)4/h5,11H,1,6-10H2,2-4H3
InChIKeyGDCYUHHFOMVZMX-UHFFFAOYSA-N
XLogP3.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 53.03
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-ethyl-N-propan-2-yl-3-prop-2-enylsulfanylpropan-1-amine?
The IUPAC name of N-ethyl-N-propan-2-yl-3-prop-2-enylsulfanylpropan-1-amine (CID 170036244) is N-ethyl-N-propan-2-yl-3-prop-2-enylsulfanylpropan-1-amine.
What is the SMILES notation for N-ethyl-N-propan-2-yl-3-prop-2-enylsulfanylpropan-1-amine?
The canonical SMILES for N-ethyl-N-propan-2-yl-3-prop-2-enylsulfanylpropan-1-amine is C=CCSCCCN(CC)C(C)C.
What is the InChIKey of N-ethyl-N-propan-2-yl-3-prop-2-enylsulfanylpropan-1-amine?
The InChIKey is GDCYUHHFOMVZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-5-9-13-10-7-8-12(6-2)11(3)4/h5,11H,1,6-10H2,2-4H3.
What are the key properties of N-ethyl-N-propan-2-yl-3-prop-2-enylsulfanylpropan-1-amine?
N-ethyl-N-propan-2-yl-3-prop-2-enylsulfanylpropan-1-amine has a molecular weight of 201.38 g/mol, XLogP of 3.03, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-propan-2-yl-3-prop-2-enylsulfanylpropan-1-amine is sourced from PubChem (CID 170036244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).