(Z)-3-ethylsulfanyl-N-methyl-N-propan-2-ylprop-1-en-1-amine

C9H19NS — CID 138481112

IUPAC(Z)-3-ethylsulfanyl-N-methyl-N-propan-2-ylprop-1-en-1-amine
SMILESCCSC/C=C\N(C)C(C)C
InChIInChI=1S/C9H19NS/c1-5-11-8-6-7-10(4)9(2)3/h6-7,9H,5,8H2,1-4H3/b7-6-
InChIKeyAGDLRSFSQIJPPN-SREVYHEPSA-N
MW173.32 g/mol
LogP2.59
Rot. Bonds5

About (Z)-3-ethylsulfanyl-N-methyl-N-propan-2-ylprop-1-en-1-amine

(Z)-3-ethylsulfanyl-N-methyl-N-propan-2-ylprop-1-en-1-amine (PubChem CID 138481112) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is (Z)-3-ethylsulfanyl-N-methyl-N-propan-2-ylprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-ethylsulfanyl-N-methyl-N-propan-2-ylprop-1-en-1-amine
PubChem CID138481112
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name(Z)-3-ethylsulfanyl-N-methyl-N-propan-2-ylprop-1-en-1-amine
SMILESCCSC/C=C\N(C)C(C)C
InChIInChI=1S/C9H19NS/c1-5-11-8-6-7-10(4)9(2)3/h6-7,9H,5,8H2,1-4H3/b7-6-
InChIKeyAGDLRSFSQIJPPN-SREVYHEPSA-N
XLogP2.59
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 ≤ 52.59
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 (Z)-3-ethylsulfanyl-N-methyl-N-propan-2-ylprop-1-en-1-amine?
The IUPAC name of (Z)-3-ethylsulfanyl-N-methyl-N-propan-2-ylprop-1-en-1-amine (CID 138481112) is (Z)-3-ethylsulfanyl-N-methyl-N-propan-2-ylprop-1-en-1-amine.
What is the SMILES notation for (Z)-3-ethylsulfanyl-N-methyl-N-propan-2-ylprop-1-en-1-amine?
The canonical SMILES for (Z)-3-ethylsulfanyl-N-methyl-N-propan-2-ylprop-1-en-1-amine is CCSC/C=C\N(C)C(C)C.
What is the InChIKey of (Z)-3-ethylsulfanyl-N-methyl-N-propan-2-ylprop-1-en-1-amine?
The InChIKey is AGDLRSFSQIJPPN-SREVYHEPSA-N. The full InChI is InChI=1S/C9H19NS/c1-5-11-8-6-7-10(4)9(2)3/h6-7,9H,5,8H2,1-4H3/b7-6-.
What are the key properties of (Z)-3-ethylsulfanyl-N-methyl-N-propan-2-ylprop-1-en-1-amine?
(Z)-3-ethylsulfanyl-N-methyl-N-propan-2-ylprop-1-en-1-amine has a molecular weight of 173.32 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-ethylsulfanyl-N-methyl-N-propan-2-ylprop-1-en-1-amine is sourced from PubChem (CID 138481112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).