N-(2-cyclohexyloxyethyl)-2-methylprop-2-en-1-amine

C12H23NO — CID 63828936

IUPACN-(2-cyclohexyloxyethyl)-2-methylprop-2-en-1-amine
SMILESC=C(C)CNCCOC1CCCCC1
InChIInChI=1S/C12H23NO/c1-11(2)10-13-8-9-14-12-6-4-3-5-7-12/h12-13H,1,3-10H2,2H3
InChIKeyKZUDPRQYLGNVPT-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.50
Rot. Bonds6

About N-(2-cyclohexyloxyethyl)-2-methylprop-2-en-1-amine

N-(2-cyclohexyloxyethyl)-2-methylprop-2-en-1-amine (PubChem CID 63828936) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-(2-cyclohexyloxyethyl)-2-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-(2-cyclohexyloxyethyl)-2-methylprop-2-en-1-amine
PubChem CID63828936
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-(2-cyclohexyloxyethyl)-2-methylprop-2-en-1-amine
SMILESC=C(C)CNCCOC1CCCCC1
InChIInChI=1S/C12H23NO/c1-11(2)10-13-8-9-14-12-6-4-3-5-7-12/h12-13H,1,3-10H2,2H3
InChIKeyKZUDPRQYLGNVPT-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.50
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'}

Analyze N-(2-cyclohexyloxyethyl)-2-methylprop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyloxyethyl)-2-methylprop-2-en-1-amine?
The IUPAC name of N-(2-cyclohexyloxyethyl)-2-methylprop-2-en-1-amine (CID 63828936) is N-(2-cyclohexyloxyethyl)-2-methylprop-2-en-1-amine.
What is the SMILES notation for N-(2-cyclohexyloxyethyl)-2-methylprop-2-en-1-amine?
The canonical SMILES for N-(2-cyclohexyloxyethyl)-2-methylprop-2-en-1-amine is C=C(C)CNCCOC1CCCCC1.
What is the InChIKey of N-(2-cyclohexyloxyethyl)-2-methylprop-2-en-1-amine?
The InChIKey is KZUDPRQYLGNVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-11(2)10-13-8-9-14-12-6-4-3-5-7-12/h12-13H,1,3-10H2,2H3.
What are the key properties of N-(2-cyclohexyloxyethyl)-2-methylprop-2-en-1-amine?
N-(2-cyclohexyloxyethyl)-2-methylprop-2-en-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyloxyethyl)-2-methylprop-2-en-1-amine is sourced from PubChem (CID 63828936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).