N-(cyclohex-3-en-1-ylmethyl)-2-methylsulfanylethanamine

C10H19NS — CID 60663567

IUPACN-(cyclohex-3-en-1-ylmethyl)-2-methylsulfanylethanamine
SMILESCSCCNCC1CC=CCC1
InChIInChI=1S/C10H19NS/c1-12-8-7-11-9-10-5-3-2-4-6-10/h2-3,10-11H,4-9H2,1H3
InChIKeyFDYRWYRWPXVUNS-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.30
Rot. Bonds5

About N-(cyclohex-3-en-1-ylmethyl)-2-methylsulfanylethanamine

N-(cyclohex-3-en-1-ylmethyl)-2-methylsulfanylethanamine (PubChem CID 60663567) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-2-methylsulfanylethanamine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-2-methylsulfanylethanamine
PubChem CID60663567
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-2-methylsulfanylethanamine
SMILESCSCCNCC1CC=CCC1
InChIInChI=1S/C10H19NS/c1-12-8-7-11-9-10-5-3-2-4-6-10/h2-3,10-11H,4-9H2,1H3
InChIKeyFDYRWYRWPXVUNS-UHFFFAOYSA-N
XLogP2.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
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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Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2-methylsulfanylethanamine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2-methylsulfanylethanamine (CID 60663567) is N-(cyclohex-3-en-1-ylmethyl)-2-methylsulfanylethanamine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-2-methylsulfanylethanamine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-2-methylsulfanylethanamine is CSCCNCC1CC=CCC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-2-methylsulfanylethanamine?
The InChIKey is FDYRWYRWPXVUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-12-8-7-11-9-10-5-3-2-4-6-10/h2-3,10-11H,4-9H2,1H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-2-methylsulfanylethanamine?
N-(cyclohex-3-en-1-ylmethyl)-2-methylsulfanylethanamine has a molecular weight of 185.34 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-2-methylsulfanylethanamine is sourced from PubChem (CID 60663567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).