N-(2-prop-2-enylsulfanylethyl)pent-1-yn-3-amine

C10H17NS — CID 106427384

IUPACN-(2-prop-2-enylsulfanylethyl)pent-1-yn-3-amine
SMILESC#CC(CC)NCCSCC=C
InChIInChI=1S/C10H17NS/c1-4-8-12-9-7-11-10(5-2)6-3/h2,4,10-11H,1,6-9H2,3H3
InChIKeyQTCDDROEQPONJT-UHFFFAOYSA-N
MW183.32 g/mol
LogP1.91
Rot. Bonds7

About N-(2-prop-2-enylsulfanylethyl)pent-1-yn-3-amine

N-(2-prop-2-enylsulfanylethyl)pent-1-yn-3-amine (PubChem CID 106427384) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is N-(2-prop-2-enylsulfanylethyl)pent-1-yn-3-amine.

Molecular Properties

Compound NameN-(2-prop-2-enylsulfanylethyl)pent-1-yn-3-amine
PubChem CID106427384
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC NameN-(2-prop-2-enylsulfanylethyl)pent-1-yn-3-amine
SMILESC#CC(CC)NCCSCC=C
InChIInChI=1S/C10H17NS/c1-4-8-12-9-7-11-10(5-2)6-3/h2,4,10-11H,1,6-9H2,3H3
InChIKeyQTCDDROEQPONJT-UHFFFAOYSA-N
XLogP1.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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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Related Compounds

3-[(1Z)-buta-1,3-dienyl]sulfanyl-N-propan-2-ylpropan-1-amine
CID 138748672
N-(2-prop-2-enylsulfanylethyl)butan-2-amine
CID 103901328
N-(2-prop-2-enylsulfanylethyl)pentan-2-amine
CID 103901332
N-(2-prop-2-enylsulfanylethyl)pentan-3-amine
CID 103901420
3-methyl-N-(2-prop-2-enylsulfanylethyl)butan-2-amine
CID 103901422
N-(2-prop-2-enylsulfanylethyl)hexan-3-amine
CID 103921814
N-(2-prop-2-enylsulfanylethyl)propan-2-amine
CID 103921816
N-(2-prop-2-ynylsulfanylethyl)hex-5-en-2-amine
CID 104583276
N-(2-ethylsulfanylethyl)pent-4-en-2-amine
CID 104668600
N-(2-ethylsulfanylethyl)pent-1-yn-3-amine
CID 106229034
N-(2-prop-2-enylsulfanylethyl)propan-1-amine
CID 106425331
N-(2-prop-2-enylsulfanylethyl)prop-2-yn-1-amine
CID 106425846

Frequently Asked Questions

What is the IUPAC name of N-(2-prop-2-enylsulfanylethyl)pent-1-yn-3-amine?
The IUPAC name of N-(2-prop-2-enylsulfanylethyl)pent-1-yn-3-amine (CID 106427384) is N-(2-prop-2-enylsulfanylethyl)pent-1-yn-3-amine.
What is the SMILES notation for N-(2-prop-2-enylsulfanylethyl)pent-1-yn-3-amine?
The canonical SMILES for N-(2-prop-2-enylsulfanylethyl)pent-1-yn-3-amine is C#CC(CC)NCCSCC=C.
What is the InChIKey of N-(2-prop-2-enylsulfanylethyl)pent-1-yn-3-amine?
The InChIKey is QTCDDROEQPONJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-4-8-12-9-7-11-10(5-2)6-3/h2,4,10-11H,1,6-9H2,3H3.
What are the key properties of N-(2-prop-2-enylsulfanylethyl)pent-1-yn-3-amine?
N-(2-prop-2-enylsulfanylethyl)pent-1-yn-3-amine has a molecular weight of 183.32 g/mol, XLogP of 1.91, 7 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)pent-1-yn-3-amine is sourced from PubChem (CID 106427384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).