N-(2-methylsulfanylethyl)pent-1-en-2-amine

C8H17NS — CID 155200024

IUPACN-(2-methylsulfanylethyl)pent-1-en-2-amine
SMILESC=C(CCC)NCCSC
InChIInChI=1S/C8H17NS/c1-4-5-8(2)9-6-7-10-3/h9H,2,4-7H2,1,3H3
InChIKeyWENUUTVARFCEFQ-UHFFFAOYSA-N
MW159.30 g/mol
LogP2.25
Rot. Bonds6

About N-(2-methylsulfanylethyl)pent-1-en-2-amine

N-(2-methylsulfanylethyl)pent-1-en-2-amine (PubChem CID 155200024) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is N-(2-methylsulfanylethyl)pent-1-en-2-amine.

Molecular Properties

Compound NameN-(2-methylsulfanylethyl)pent-1-en-2-amine
PubChem CID155200024
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC NameN-(2-methylsulfanylethyl)pent-1-en-2-amine
SMILESC=C(CCC)NCCSC
InChIInChI=1S/C8H17NS/c1-4-5-8(2)9-6-7-10-3/h9H,2,4-7H2,1,3H3
InChIKeyWENUUTVARFCEFQ-UHFFFAOYSA-N
XLogP2.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-(2-methylsulfanylethyl)pent-1-en-2-amine?
The IUPAC name of N-(2-methylsulfanylethyl)pent-1-en-2-amine (CID 155200024) is N-(2-methylsulfanylethyl)pent-1-en-2-amine.
What is the SMILES notation for N-(2-methylsulfanylethyl)pent-1-en-2-amine?
The canonical SMILES for N-(2-methylsulfanylethyl)pent-1-en-2-amine is C=C(CCC)NCCSC.
What is the InChIKey of N-(2-methylsulfanylethyl)pent-1-en-2-amine?
The InChIKey is WENUUTVARFCEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-4-5-8(2)9-6-7-10-3/h9H,2,4-7H2,1,3H3.
What are the key properties of N-(2-methylsulfanylethyl)pent-1-en-2-amine?
N-(2-methylsulfanylethyl)pent-1-en-2-amine has a molecular weight of 159.30 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylethyl)pent-1-en-2-amine is sourced from PubChem (CID 155200024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).