2-(1-ethylsulfanylethenyl)-4-methylpentan-1-amine

C10H21NS — CID 89339852

IUPAC2-(1-ethylsulfanylethenyl)-4-methylpentan-1-amine
SMILESC=C(SCC)C(CN)CC(C)C
InChIInChI=1S/C10H21NS/c1-5-12-9(4)10(7-11)6-8(2)3/h8,10H,4-7,11H2,1-3H3
InChIKeyNTSZGIVELDAABX-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.87
Rot. Bonds6

About 2-(1-ethylsulfanylethenyl)-4-methylpentan-1-amine

2-(1-ethylsulfanylethenyl)-4-methylpentan-1-amine (PubChem CID 89339852) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 2-(1-ethylsulfanylethenyl)-4-methylpentan-1-amine.

Molecular Properties

Compound Name2-(1-ethylsulfanylethenyl)-4-methylpentan-1-amine
PubChem CID89339852
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name2-(1-ethylsulfanylethenyl)-4-methylpentan-1-amine
SMILESC=C(SCC)C(CN)CC(C)C
InChIInChI=1S/C10H21NS/c1-5-12-9(4)10(7-11)6-8(2)3/h8,10H,4-7,11H2,1-3H3
InChIKeyNTSZGIVELDAABX-UHFFFAOYSA-N
XLogP2.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylsulfanylethenyl)-4-methylpentan-1-amine?
The IUPAC name of 2-(1-ethylsulfanylethenyl)-4-methylpentan-1-amine (CID 89339852) is 2-(1-ethylsulfanylethenyl)-4-methylpentan-1-amine.
What is the SMILES notation for 2-(1-ethylsulfanylethenyl)-4-methylpentan-1-amine?
The canonical SMILES for 2-(1-ethylsulfanylethenyl)-4-methylpentan-1-amine is C=C(SCC)C(CN)CC(C)C.
What is the InChIKey of 2-(1-ethylsulfanylethenyl)-4-methylpentan-1-amine?
The InChIKey is NTSZGIVELDAABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-5-12-9(4)10(7-11)6-8(2)3/h8,10H,4-7,11H2,1-3H3.
What are the key properties of 2-(1-ethylsulfanylethenyl)-4-methylpentan-1-amine?
2-(1-ethylsulfanylethenyl)-4-methylpentan-1-amine has a molecular weight of 187.35 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylsulfanylethenyl)-4-methylpentan-1-amine is sourced from PubChem (CID 89339852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).