2-(cyclohex-2-en-1-ylideneamino)-N-propylsulfanylethanamine

C11H20N2S — CID 123955694

IUPAC2-(cyclohex-2-en-1-ylideneamino)-N-propylsulfanylethanamine
SMILESCCCSNCC/N=C1/C=CCCC1
InChIInChI=1S/C11H20N2S/c1-2-10-14-13-9-8-12-11-6-4-3-5-7-11/h4,6,13H,2-3,5,7-10H2,1H3/b12-11-
InChIKeySGMOPCIANSNGGI-QXMHVHEDSA-N
MW212.36 g/mol
LogP2.82
Rot. Bonds6

About 2-(cyclohex-2-en-1-ylideneamino)-N-propylsulfanylethanamine

2-(cyclohex-2-en-1-ylideneamino)-N-propylsulfanylethanamine (PubChem CID 123955694) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 2-(cyclohex-2-en-1-ylideneamino)-N-propylsulfanylethanamine.

Molecular Properties

Compound Name2-(cyclohex-2-en-1-ylideneamino)-N-propylsulfanylethanamine
PubChem CID123955694
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name2-(cyclohex-2-en-1-ylideneamino)-N-propylsulfanylethanamine
SMILESCCCSNCC/N=C1/C=CCCC1
InChIInChI=1S/C11H20N2S/c1-2-10-14-13-9-8-12-11-6-4-3-5-7-11/h4,6,13H,2-3,5,7-10H2,1H3/b12-11-
InChIKeySGMOPCIANSNGGI-QXMHVHEDSA-N
XLogP2.82
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-fluorocyclohex-2-en-1-ylidene)amino]-N-[3-(trifluoromethylsulfanylamino)sulfanylpropylsulfanyl]ethanamine
CID 123482047
2-(cyclohex-2-en-1-ylideneamino)-N-[4-(trifluoromethylsulfanylamino)sulfanylbutan-2-ylsulfanyl]ethanamine
CID 123926544
2-(cyclohex-2-en-1-ylideneamino)-N-methylsulfanylethanamine
CID 123267878
N-[2-(cyclohex-2-en-1-ylideneamino)ethyl]thiohydroxylamine
CID 123958575

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohex-2-en-1-ylideneamino)-N-propylsulfanylethanamine?
The IUPAC name of 2-(cyclohex-2-en-1-ylideneamino)-N-propylsulfanylethanamine (CID 123955694) is 2-(cyclohex-2-en-1-ylideneamino)-N-propylsulfanylethanamine.
What is the SMILES notation for 2-(cyclohex-2-en-1-ylideneamino)-N-propylsulfanylethanamine?
The canonical SMILES for 2-(cyclohex-2-en-1-ylideneamino)-N-propylsulfanylethanamine is CCCSNCC/N=C1/C=CCCC1.
What is the InChIKey of 2-(cyclohex-2-en-1-ylideneamino)-N-propylsulfanylethanamine?
The InChIKey is SGMOPCIANSNGGI-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H20N2S/c1-2-10-14-13-9-8-12-11-6-4-3-5-7-11/h4,6,13H,2-3,5,7-10H2,1H3/b12-11-.
What are the key properties of 2-(cyclohex-2-en-1-ylideneamino)-N-propylsulfanylethanamine?
2-(cyclohex-2-en-1-ylideneamino)-N-propylsulfanylethanamine has a molecular weight of 212.36 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohex-2-en-1-ylideneamino)-N-propylsulfanylethanamine is sourced from PubChem (CID 123955694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).