N-(2-prop-2-enylsulfanylethyl)pentan-3-amine

C10H21NS — CID 103901420

IUPACN-(2-prop-2-enylsulfanylethyl)pentan-3-amine
SMILESC=CCSCCNC(CC)CC
InChIInChI=1S/C10H21NS/c1-4-8-12-9-7-11-10(5-2)6-3/h4,10-11H,1,5-9H2,2-3H3
InChIKeyHVFAHSSUVXCHLS-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.68
Rot. Bonds8

About N-(2-prop-2-enylsulfanylethyl)pentan-3-amine

N-(2-prop-2-enylsulfanylethyl)pentan-3-amine (PubChem CID 103901420) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is N-(2-prop-2-enylsulfanylethyl)pentan-3-amine.

Molecular Properties

Compound NameN-(2-prop-2-enylsulfanylethyl)pentan-3-amine
PubChem CID103901420
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC NameN-(2-prop-2-enylsulfanylethyl)pentan-3-amine
SMILESC=CCSCCNC(CC)CC
InChIInChI=1S/C10H21NS/c1-4-8-12-9-7-11-10(5-2)6-3/h4,10-11H,1,5-9H2,2-3H3
InChIKeyHVFAHSSUVXCHLS-UHFFFAOYSA-N
XLogP2.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-prop-2-enylsulfanylethyl)pentan-3-amine?
The IUPAC name of N-(2-prop-2-enylsulfanylethyl)pentan-3-amine (CID 103901420) is N-(2-prop-2-enylsulfanylethyl)pentan-3-amine.
What is the SMILES notation for N-(2-prop-2-enylsulfanylethyl)pentan-3-amine?
The canonical SMILES for N-(2-prop-2-enylsulfanylethyl)pentan-3-amine is C=CCSCCNC(CC)CC.
What is the InChIKey of N-(2-prop-2-enylsulfanylethyl)pentan-3-amine?
The InChIKey is HVFAHSSUVXCHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-4-8-12-9-7-11-10(5-2)6-3/h4,10-11H,1,5-9H2,2-3H3.
What are the key properties of N-(2-prop-2-enylsulfanylethyl)pentan-3-amine?
N-(2-prop-2-enylsulfanylethyl)pentan-3-amine has a molecular weight of 187.35 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-prop-2-enylsulfanylethyl)pentan-3-amine is sourced from PubChem (CID 103901420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).