5-ethylsulfanyl-3-N-propan-2-ylpent-1-ene-2,3-diamine

C10H22N2S — CID 166808544

IUPAC5-ethylsulfanyl-3-N-propan-2-ylpent-1-ene-2,3-diamine
SMILESC=C(N)C(CCSCC)NC(C)C
InChIInChI=1S/C10H22N2S/c1-5-13-7-6-10(9(4)11)12-8(2)3/h8,10,12H,4-7,11H2,1-3H3
InChIKeySBWRZTFNZVNIKI-UHFFFAOYSA-N
MW202.37 g/mol
LogP1.97
Rot. Bonds7

About 5-ethylsulfanyl-3-N-propan-2-ylpent-1-ene-2,3-diamine

5-ethylsulfanyl-3-N-propan-2-ylpent-1-ene-2,3-diamine (PubChem CID 166808544) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is 5-ethylsulfanyl-3-N-propan-2-ylpent-1-ene-2,3-diamine.

Molecular Properties

Compound Name5-ethylsulfanyl-3-N-propan-2-ylpent-1-ene-2,3-diamine
PubChem CID166808544
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Name5-ethylsulfanyl-3-N-propan-2-ylpent-1-ene-2,3-diamine
SMILESC=C(N)C(CCSCC)NC(C)C
InChIInChI=1S/C10H22N2S/c1-5-13-7-6-10(9(4)11)12-8(2)3/h8,10,12H,4-7,11H2,1-3H3
InChIKeySBWRZTFNZVNIKI-UHFFFAOYSA-N
XLogP1.97
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 5-ethylsulfanyl-3-N-propan-2-ylpent-1-ene-2,3-diamine?
The IUPAC name of 5-ethylsulfanyl-3-N-propan-2-ylpent-1-ene-2,3-diamine (CID 166808544) is 5-ethylsulfanyl-3-N-propan-2-ylpent-1-ene-2,3-diamine.
What is the SMILES notation for 5-ethylsulfanyl-3-N-propan-2-ylpent-1-ene-2,3-diamine?
The canonical SMILES for 5-ethylsulfanyl-3-N-propan-2-ylpent-1-ene-2,3-diamine is C=C(N)C(CCSCC)NC(C)C.
What is the InChIKey of 5-ethylsulfanyl-3-N-propan-2-ylpent-1-ene-2,3-diamine?
The InChIKey is SBWRZTFNZVNIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-5-13-7-6-10(9(4)11)12-8(2)3/h8,10,12H,4-7,11H2,1-3H3.
What are the key properties of 5-ethylsulfanyl-3-N-propan-2-ylpent-1-ene-2,3-diamine?
5-ethylsulfanyl-3-N-propan-2-ylpent-1-ene-2,3-diamine has a molecular weight of 202.37 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfanyl-3-N-propan-2-ylpent-1-ene-2,3-diamine is sourced from PubChem (CID 166808544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).