N-ethyl-2-methyl-N-[(E)-2-methylsulfanylethenyl]propan-1-amine

C9H19NS — CID 126575581

IUPACN-ethyl-2-methyl-N-[(E)-2-methylsulfanylethenyl]propan-1-amine
SMILESCCN(/C=C/SC)CC(C)C
InChIInChI=1S/C9H19NS/c1-5-10(6-7-11-4)8-9(2)3/h6-7,9H,5,8H2,1-4H3/b7-6+
InChIKeySNSYQKZEPLCWKS-VOTSOKGWSA-N
MW173.33 g/mol
LogP2.80
Rot. Bonds5

About N-ethyl-2-methyl-N-[(E)-2-methylsulfanylethenyl]propan-1-amine

N-ethyl-2-methyl-N-[(E)-2-methylsulfanylethenyl]propan-1-amine (PubChem CID 126575581) has the molecular formula C9H19NS and a molecular weight of 173.33 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-[(E)-2-methylsulfanylethenyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-[(E)-2-methylsulfanylethenyl]propan-1-amine
PubChem CID126575581
Molecular FormulaC9H19NS
Molecular Weight173.33 g/mol
Exact Mass173.12
IUPAC NameN-ethyl-2-methyl-N-[(E)-2-methylsulfanylethenyl]propan-1-amine
SMILESCCN(/C=C/SC)CC(C)C
InChIInChI=1S/C9H19NS/c1-5-10(6-7-11-4)8-9(2)3/h6-7,9H,5,8H2,1-4H3/b7-6+
InChIKeySNSYQKZEPLCWKS-VOTSOKGWSA-N
XLogP2.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.33
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-[(E)-2-methylsulfanylethenyl]propan-1-amine?
The IUPAC name of N-ethyl-2-methyl-N-[(E)-2-methylsulfanylethenyl]propan-1-amine (CID 126575581) is N-ethyl-2-methyl-N-[(E)-2-methylsulfanylethenyl]propan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-N-[(E)-2-methylsulfanylethenyl]propan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-N-[(E)-2-methylsulfanylethenyl]propan-1-amine is CCN(/C=C/SC)CC(C)C.
What is the InChIKey of N-ethyl-2-methyl-N-[(E)-2-methylsulfanylethenyl]propan-1-amine?
The InChIKey is SNSYQKZEPLCWKS-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H19NS/c1-5-10(6-7-11-4)8-9(2)3/h6-7,9H,5,8H2,1-4H3/b7-6+.
What are the key properties of N-ethyl-2-methyl-N-[(E)-2-methylsulfanylethenyl]propan-1-amine?
N-ethyl-2-methyl-N-[(E)-2-methylsulfanylethenyl]propan-1-amine has a molecular weight of 173.33 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-[(E)-2-methylsulfanylethenyl]propan-1-amine is sourced from PubChem (CID 126575581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).