2-methyl-N-(methylperoxymethyl)cyclohexan-1-amine

C9H19NO2 — CID 54550710

IUPAC2-methyl-N-(methylperoxymethyl)cyclohexan-1-amine
SMILESCOOCNC1CCCCC1C
InChIInChI=1S/C9H19NO2/c1-8-5-3-4-6-9(8)10-7-12-11-2/h8-10H,3-7H2,1-2H3
InChIKeyZJRYEFZRWZUKHH-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.69
Rot. Bonds4

About 2-methyl-N-(methylperoxymethyl)cyclohexan-1-amine

2-methyl-N-(methylperoxymethyl)cyclohexan-1-amine (PubChem CID 54550710) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-methyl-N-(methylperoxymethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(methylperoxymethyl)cyclohexan-1-amine
PubChem CID54550710
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name2-methyl-N-(methylperoxymethyl)cyclohexan-1-amine
SMILESCOOCNC1CCCCC1C
InChIInChI=1S/C9H19NO2/c1-8-5-3-4-6-9(8)10-7-12-11-2/h8-10H,3-7H2,1-2H3
InChIKeyZJRYEFZRWZUKHH-UHFFFAOYSA-N
XLogP1.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 2-methyl-N-(methylperoxymethyl)cyclohexan-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

Related Compounds

N-ethyl-2-methylcyclohexan-1-amine;hydrochloride
CID 50988234
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylcycloheptan-1-amine
CID 104562465
trans-(1R,2R)-N-ethyl-2-methylcyclopentan-1-amine
CID 71351363
2-methyl-N-(oxan-4-ylmethyl)cyclohexan-1-amine
CID 62384942
2-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cycloheptan-1-amine
CID 112589213
trans-(1R,2R)-N-(3-methoxypropyl)-2-methylcyclopentan-1-amine
CID 95377511
2-methyl-N-[(2-methylcyclopentyl)methyl]cyclohexan-1-amine
CID 107417002
methyl (2R)-2-methyl-3-[[(1R,2R)-2-methylcyclohexyl]amino]propanoate
CID 93035087
N-(3-cyclohexyloxypropyl)-2-methylcyclopentan-1-amine
CID 65046770
cis-(1R,2S)-N-(4-methoxybutyl)-2-methylcyclopentan-1-amine
CID 96923239
trans-(1R,2R)-N-(4-methoxybutyl)-2-methylcyclopentan-1-amine
CID 96923238
N-(2-chloroprop-2-enyl)-2-methylcyclohexan-1-amine
CID 60688914

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(methylperoxymethyl)cyclohexan-1-amine?
The IUPAC name of 2-methyl-N-(methylperoxymethyl)cyclohexan-1-amine (CID 54550710) is 2-methyl-N-(methylperoxymethyl)cyclohexan-1-amine.
What is the SMILES notation for 2-methyl-N-(methylperoxymethyl)cyclohexan-1-amine?
The canonical SMILES for 2-methyl-N-(methylperoxymethyl)cyclohexan-1-amine is COOCNC1CCCCC1C.
What is the InChIKey of 2-methyl-N-(methylperoxymethyl)cyclohexan-1-amine?
The InChIKey is ZJRYEFZRWZUKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-8-5-3-4-6-9(8)10-7-12-11-2/h8-10H,3-7H2,1-2H3.
What are the key properties of 2-methyl-N-(methylperoxymethyl)cyclohexan-1-amine?
2-methyl-N-(methylperoxymethyl)cyclohexan-1-amine has a molecular weight of 173.26 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(methylperoxymethyl)cyclohexan-1-amine is sourced from PubChem (CID 54550710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).