(E)-N-(2-ethylsulfanylethyl)pent-3-en-1-amine

C9H19NS — CID 104668614

IUPAC(E)-N-(2-ethylsulfanylethyl)pent-3-en-1-amine
SMILESC/C=C/CCNCCSCC
InChIInChI=1S/C9H19NS/c1-3-5-6-7-10-8-9-11-4-2/h3,5,10H,4,6-9H2,1-2H3/b5-3+
InChIKeyVXULCHVOCILIRQ-HWKANZROSA-N
MW173.32 g/mol
LogP2.30
Rot. Bonds7

About (E)-N-(2-ethylsulfanylethyl)pent-3-en-1-amine

(E)-N-(2-ethylsulfanylethyl)pent-3-en-1-amine (PubChem CID 104668614) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is (E)-N-(2-ethylsulfanylethyl)pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-(2-ethylsulfanylethyl)pent-3-en-1-amine
PubChem CID104668614
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name(E)-N-(2-ethylsulfanylethyl)pent-3-en-1-amine
SMILESC/C=C/CCNCCSCC
InChIInChI=1S/C9H19NS/c1-3-5-6-7-10-8-9-11-4-2/h3,5,10H,4,6-9H2,1-2H3/b5-3+
InChIKeyVXULCHVOCILIRQ-HWKANZROSA-N
XLogP2.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.30
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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Related Compounds

2-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)sulfanyl]ethanamine
CID 3047919
(E)-N-[2-(trifluoromethylsulfanyl)ethyl]pent-3-en-1-amine
CID 116615771
2-((Z)-2-butenyl)thiazolidine
CID 5352326
2-((Z)-2-heptenyl)thiazolidine
CID 5352327
2-((Z)-2-hexenyl)thiazolidine
CID 5352328
2-((Z)-2-pentenyl)thiazolidine
CID 5352330
2-[(2E)-hexa-2,5-dienyl]-1,3-thiazolidine
CID 57204285
N-(3-methylsulfanylpropyl)but-3-en-1-amine
CID 57591259
3-[(E)-pent-3-enyl]sulfanylpropan-1-amine
CID 58684767
N-(2-methylsulfanylethyl)but-3-en-1-amine
CID 64314910
N-(3-methylsulfanylpropyl)pent-4-en-1-amine
CID 64315148
2-(2,3-dihydrothiophen-5-yl)-N-methylethanamine
CID 68333587

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-ethylsulfanylethyl)pent-3-en-1-amine?
The IUPAC name of (E)-N-(2-ethylsulfanylethyl)pent-3-en-1-amine (CID 104668614) is (E)-N-(2-ethylsulfanylethyl)pent-3-en-1-amine.
What is the SMILES notation for (E)-N-(2-ethylsulfanylethyl)pent-3-en-1-amine?
The canonical SMILES for (E)-N-(2-ethylsulfanylethyl)pent-3-en-1-amine is C/C=C/CCNCCSCC.
What is the InChIKey of (E)-N-(2-ethylsulfanylethyl)pent-3-en-1-amine?
The InChIKey is VXULCHVOCILIRQ-HWKANZROSA-N. The full InChI is InChI=1S/C9H19NS/c1-3-5-6-7-10-8-9-11-4-2/h3,5,10H,4,6-9H2,1-2H3/b5-3+.
What are the key properties of (E)-N-(2-ethylsulfanylethyl)pent-3-en-1-amine?
(E)-N-(2-ethylsulfanylethyl)pent-3-en-1-amine has a molecular weight of 173.32 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-ethylsulfanylethyl)pent-3-en-1-amine is sourced from PubChem (CID 104668614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).