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

C9H16N2S — CID 123267878

IUPAC2-(cyclohex-2-en-1-ylideneamino)-N-methylsulfanylethanamine
SMILESCSNCC/N=C1/C=CCCC1
InChIInChI=1S/C9H16N2S/c1-12-11-8-7-10-9-5-3-2-4-6-9/h3,5,11H,2,4,6-8H2,1H3/b10-9-
InChIKeyIYYKTNKKRZVNSI-KTKRTIGZSA-N
MW184.31 g/mol
LogP2.04
Rot. Bonds4

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

2-(cyclohex-2-en-1-ylideneamino)-N-methylsulfanylethanamine (PubChem CID 123267878) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is 2-(cyclohex-2-en-1-ylideneamino)-N-methylsulfanylethanamine.

Molecular Properties

Compound Name2-(cyclohex-2-en-1-ylideneamino)-N-methylsulfanylethanamine
PubChem CID123267878
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name2-(cyclohex-2-en-1-ylideneamino)-N-methylsulfanylethanamine
SMILESCSNCC/N=C1/C=CCCC1
InChIInChI=1S/C9H16N2S/c1-12-11-8-7-10-9-5-3-2-4-6-9/h3,5,11H,2,4,6-8H2,1H3/b10-9-
InChIKeyIYYKTNKKRZVNSI-KTKRTIGZSA-N
XLogP2.04
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.04
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-(cyclohex-2-en-1-ylideneamino)-N-[4-(trifluoromethylsulfanylamino)sulfanylbutan-2-ylsulfanyl]ethanamine
CID 123926544
2-(cyclohex-2-en-1-ylideneamino)-N-methylethanamine
CID 123408588
2-(Cyclohex-2-en-1-ylideneamino)ethanamine
CID 123456351
2-[(4-Methylcyclohex-2-en-1-ylidene)amino]ethanamine
CID 123719177
2-(cyclohex-2-en-1-ylideneamino)-N-propylsulfanylethanamine
CID 123955694
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-methylsulfanylethanamine?
The IUPAC name of 2-(cyclohex-2-en-1-ylideneamino)-N-methylsulfanylethanamine (CID 123267878) is 2-(cyclohex-2-en-1-ylideneamino)-N-methylsulfanylethanamine.
What is the SMILES notation for 2-(cyclohex-2-en-1-ylideneamino)-N-methylsulfanylethanamine?
The canonical SMILES for 2-(cyclohex-2-en-1-ylideneamino)-N-methylsulfanylethanamine is CSNCC/N=C1/C=CCCC1.
What is the InChIKey of 2-(cyclohex-2-en-1-ylideneamino)-N-methylsulfanylethanamine?
The InChIKey is IYYKTNKKRZVNSI-KTKRTIGZSA-N. The full InChI is InChI=1S/C9H16N2S/c1-12-11-8-7-10-9-5-3-2-4-6-9/h3,5,11H,2,4,6-8H2,1H3/b10-9-.
What are the key properties of 2-(cyclohex-2-en-1-ylideneamino)-N-methylsulfanylethanamine?
2-(cyclohex-2-en-1-ylideneamino)-N-methylsulfanylethanamine has a molecular weight of 184.31 g/mol, XLogP of 2.04, 4 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-methylsulfanylethanamine is sourced from PubChem (CID 123267878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).