(E)-N-(4-methylsulfanylbutyl)pent-3-en-1-amine

C10H21NS — CID 103088387

IUPAC(E)-N-(4-methylsulfanylbutyl)pent-3-en-1-amine
SMILESC/C=C/CCNCCCCSC
InChIInChI=1S/C10H21NS/c1-3-4-5-8-11-9-6-7-10-12-2/h3-4,11H,5-10H2,1-2H3/b4-3+
InChIKeyJNOFBKSLIOPFTM-ONEGZZNKSA-N
MW187.35 g/mol
LogP2.69
Rot. Bonds8

About (E)-N-(4-methylsulfanylbutyl)pent-3-en-1-amine

(E)-N-(4-methylsulfanylbutyl)pent-3-en-1-amine (PubChem CID 103088387) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is (E)-N-(4-methylsulfanylbutyl)pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-(4-methylsulfanylbutyl)pent-3-en-1-amine
PubChem CID103088387
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name(E)-N-(4-methylsulfanylbutyl)pent-3-en-1-amine
SMILESC/C=C/CCNCCCCSC
InChIInChI=1S/C10H21NS/c1-3-4-5-8-11-9-6-7-10-12-2/h3-4,11H,5-10H2,1-2H3/b4-3+
InChIKeyJNOFBKSLIOPFTM-ONEGZZNKSA-N
XLogP2.69
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 ≤ 52.69
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

Thiazolidine, 2-(3-pentenyl)-, (E)-
CID 6447464
(E)-N-[2-(trifluoromethylsulfanyl)ethyl]pent-3-en-1-amine
CID 116615771
2-((Z)-2-hexenyl)thiazolidine
CID 5352328
2-((Z)-2-pentenyl)thiazolidine
CID 5352330
N-(3-methylsulfanylpropyl)but-3-en-1-amine
CID 57591259
N-(3-methylsulfanylpropyl)pent-4-en-1-amine
CID 64315148
2-(2,3-dihydrothiophen-5-yl)-N-methylethanamine
CID 68333587
3-[(2R)-2-methyl-2,3-dihydrothiophen-5-yl]-N-propylpropan-1-amine
CID 68344038
2-methylsulfanyl-2,3,4,7-tetrahydro-1H-azepine
CID 70439094
(6Z,9R)-2,9-dimethyl-2,3,4,5,8,9-hexahydro-1,3-thiazonine
CID 89340268
(Z)-N-[(1R)-1-ethenylsulfanylethyl]pent-3-en-1-amine
CID 89340441
(2R,6Z)-2-methyl-2,3,4,5,8,9-hexahydro-1,3-thiazonine
CID 89343193

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-methylsulfanylbutyl)pent-3-en-1-amine?
The IUPAC name of (E)-N-(4-methylsulfanylbutyl)pent-3-en-1-amine (CID 103088387) is (E)-N-(4-methylsulfanylbutyl)pent-3-en-1-amine.
What is the SMILES notation for (E)-N-(4-methylsulfanylbutyl)pent-3-en-1-amine?
The canonical SMILES for (E)-N-(4-methylsulfanylbutyl)pent-3-en-1-amine is C/C=C/CCNCCCCSC.
What is the InChIKey of (E)-N-(4-methylsulfanylbutyl)pent-3-en-1-amine?
The InChIKey is JNOFBKSLIOPFTM-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H21NS/c1-3-4-5-8-11-9-6-7-10-12-2/h3-4,11H,5-10H2,1-2H3/b4-3+.
What are the key properties of (E)-N-(4-methylsulfanylbutyl)pent-3-en-1-amine?
(E)-N-(4-methylsulfanylbutyl)pent-3-en-1-amine has a molecular weight of 187.35 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-methylsulfanylbutyl)pent-3-en-1-amine is sourced from PubChem (CID 103088387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).