N-ethyl-N-propan-2-ylsulfanylpropan-2-amine

C8H19NS — CID 54566986

IUPACN-ethyl-N-propan-2-ylsulfanylpropan-2-amine
SMILESCCN(SC(C)C)C(C)C
InChIInChI=1S/C8H19NS/c1-6-9(7(2)3)10-8(4)5/h7-8H,6H2,1-5H3
InChIKeyZUNRIUXCTXEJNK-UHFFFAOYSA-N
MW161.31 g/mol
LogP2.77
Rot. Bonds4

About N-ethyl-N-propan-2-ylsulfanylpropan-2-amine

N-ethyl-N-propan-2-ylsulfanylpropan-2-amine (PubChem CID 54566986) has the molecular formula C8H19NS and a molecular weight of 161.31 g/mol. Its IUPAC name is N-ethyl-N-propan-2-ylsulfanylpropan-2-amine.

Molecular Properties

Compound NameN-ethyl-N-propan-2-ylsulfanylpropan-2-amine
PubChem CID54566986
Molecular FormulaC8H19NS
Molecular Weight161.31 g/mol
Exact Mass161.12
IUPAC NameN-ethyl-N-propan-2-ylsulfanylpropan-2-amine
SMILESCCN(SC(C)C)C(C)C
InChIInChI=1S/C8H19NS/c1-6-9(7(2)3)10-8(4)5/h7-8H,6H2,1-5H3
InChIKeyZUNRIUXCTXEJNK-UHFFFAOYSA-N
XLogP2.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.31
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-propan-2-ylsulfanylpropan-2-amine?
The IUPAC name of N-ethyl-N-propan-2-ylsulfanylpropan-2-amine (CID 54566986) is N-ethyl-N-propan-2-ylsulfanylpropan-2-amine.
What is the SMILES notation for N-ethyl-N-propan-2-ylsulfanylpropan-2-amine?
The canonical SMILES for N-ethyl-N-propan-2-ylsulfanylpropan-2-amine is CCN(SC(C)C)C(C)C.
What is the InChIKey of N-ethyl-N-propan-2-ylsulfanylpropan-2-amine?
The InChIKey is ZUNRIUXCTXEJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NS/c1-6-9(7(2)3)10-8(4)5/h7-8H,6H2,1-5H3.
What are the key properties of N-ethyl-N-propan-2-ylsulfanylpropan-2-amine?
N-ethyl-N-propan-2-ylsulfanylpropan-2-amine has a molecular weight of 161.31 g/mol, XLogP of 2.77, 4 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-ylsulfanylpropan-2-amine is sourced from PubChem (CID 54566986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).