N-(2-prop-2-ynylsulfanylethyl)pent-4-en-1-amine

C10H17NS — CID 106428746

IUPACN-(2-prop-2-ynylsulfanylethyl)pent-4-en-1-amine
SMILESC#CCSCCNCCCC=C
InChIInChI=1S/C10H17NS/c1-3-5-6-7-11-8-10-12-9-4-2/h2-3,11H,1,5-10H2
InChIKeyKEYAAXKJTXZRCS-UHFFFAOYSA-N
MW183.32 g/mol
LogP1.91
Rot. Bonds8

About N-(2-prop-2-ynylsulfanylethyl)pent-4-en-1-amine

N-(2-prop-2-ynylsulfanylethyl)pent-4-en-1-amine (PubChem CID 106428746) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is N-(2-prop-2-ynylsulfanylethyl)pent-4-en-1-amine.

Molecular Properties

Compound NameN-(2-prop-2-ynylsulfanylethyl)pent-4-en-1-amine
PubChem CID106428746
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC NameN-(2-prop-2-ynylsulfanylethyl)pent-4-en-1-amine
SMILESC#CCSCCNCCCC=C
InChIInChI=1S/C10H17NS/c1-3-5-6-7-11-8-10-12-9-4-2/h2-3,11H,1,5-10H2
InChIKeyKEYAAXKJTXZRCS-UHFFFAOYSA-N
XLogP1.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 51.91
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-prop-2-ynylsulfanylethyl)pent-4-en-1-amine?
The IUPAC name of N-(2-prop-2-ynylsulfanylethyl)pent-4-en-1-amine (CID 106428746) is N-(2-prop-2-ynylsulfanylethyl)pent-4-en-1-amine.
What is the SMILES notation for N-(2-prop-2-ynylsulfanylethyl)pent-4-en-1-amine?
The canonical SMILES for N-(2-prop-2-ynylsulfanylethyl)pent-4-en-1-amine is C#CCSCCNCCCC=C.
What is the InChIKey of N-(2-prop-2-ynylsulfanylethyl)pent-4-en-1-amine?
The InChIKey is KEYAAXKJTXZRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-3-5-6-7-11-8-10-12-9-4-2/h2-3,11H,1,5-10H2.
What are the key properties of N-(2-prop-2-ynylsulfanylethyl)pent-4-en-1-amine?
N-(2-prop-2-ynylsulfanylethyl)pent-4-en-1-amine has a molecular weight of 183.32 g/mol, XLogP of 1.91, 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-ynylsulfanylethyl)pent-4-en-1-amine is sourced from PubChem (CID 106428746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).