N-(2-thiomorpholin-4-ylethyl)hept-6-en-3-amine

C13H26N2S — CID 115719247

IUPACN-(2-thiomorpholin-4-ylethyl)hept-6-en-3-amine
SMILESC=CCCC(CC)NCCN1CCSCC1
InChIInChI=1S/C13H26N2S/c1-3-5-6-13(4-2)14-7-8-15-9-11-16-12-10-15/h3,13-14H,1,4-12H2,2H3
InChIKeyOBOCDEUHYSXYBW-UHFFFAOYSA-N
MW242.43 g/mol
LogP2.37
Rot. Bonds8

About N-(2-thiomorpholin-4-ylethyl)hept-6-en-3-amine

N-(2-thiomorpholin-4-ylethyl)hept-6-en-3-amine (PubChem CID 115719247) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is N-(2-thiomorpholin-4-ylethyl)hept-6-en-3-amine.

Molecular Properties

Compound NameN-(2-thiomorpholin-4-ylethyl)hept-6-en-3-amine
PubChem CID115719247
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC NameN-(2-thiomorpholin-4-ylethyl)hept-6-en-3-amine
SMILESC=CCCC(CC)NCCN1CCSCC1
InChIInChI=1S/C13H26N2S/c1-3-5-6-13(4-2)14-7-8-15-9-11-16-12-10-15/h3,13-14H,1,4-12H2,2H3
InChIKeyOBOCDEUHYSXYBW-UHFFFAOYSA-N
XLogP2.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Hept-6-en-3-ylpiperazine
CID 22375101
2-(2-Prop-2-enylthiomorpholin-4-yl)ethanamine
CID 70523395
1-[3-(2,3-Dihydrothiophen-2-yl)propyl]piperazine
CID 163907024
2-[2-[4-[2-(2-Aminoethylsulfanyl)ethyl]-2,5-bis(prop-2-enyl)piperazin-1-yl]ethylsulfanyl]ethanamine
CID 171080470
N-(2-piperazin-1-ylethyl)hept-1-en-4-amine
CID 4712399
N-prop-2-enyl-2-thiomorpholin-4-ylpropan-1-amine
CID 62558854
2-(3-methylthiomorpholin-4-yl)-N-prop-2-enylpropan-1-amine
CID 64052023
2-(2,6-dimethylthiomorpholin-4-yl)-N-prop-2-enylpropan-1-amine
CID 64117863
1-cyclohexylsulfanyl-N-propylhex-5-en-2-amine
CID 65144063
1-cyclohexylsulfanyl-N-ethylhex-5-en-2-amine
CID 65144542
1-(1,4-dithian-2-yl)-N-methylpent-4-en-1-amine
CID 79966053
1-(1,4-dithian-2-yl)-N-propylpent-4-en-1-amine
CID 79966232

Frequently Asked Questions

What is the IUPAC name of N-(2-thiomorpholin-4-ylethyl)hept-6-en-3-amine?
The IUPAC name of N-(2-thiomorpholin-4-ylethyl)hept-6-en-3-amine (CID 115719247) is N-(2-thiomorpholin-4-ylethyl)hept-6-en-3-amine.
What is the SMILES notation for N-(2-thiomorpholin-4-ylethyl)hept-6-en-3-amine?
The canonical SMILES for N-(2-thiomorpholin-4-ylethyl)hept-6-en-3-amine is C=CCCC(CC)NCCN1CCSCC1.
What is the InChIKey of N-(2-thiomorpholin-4-ylethyl)hept-6-en-3-amine?
The InChIKey is OBOCDEUHYSXYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-3-5-6-13(4-2)14-7-8-15-9-11-16-12-10-15/h3,13-14H,1,4-12H2,2H3.
What are the key properties of N-(2-thiomorpholin-4-ylethyl)hept-6-en-3-amine?
N-(2-thiomorpholin-4-ylethyl)hept-6-en-3-amine has a molecular weight of 242.43 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiomorpholin-4-ylethyl)hept-6-en-3-amine is sourced from PubChem (CID 115719247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).