N-(2-cyclobutyloxyethyl)-4-methylcyclohexan-1-amine

C13H25NO — CID 62584943

IUPACN-(2-cyclobutyloxyethyl)-4-methylcyclohexan-1-amine
SMILESCC1CCC(NCCOC2CCC2)CC1
InChIInChI=1S/C13H25NO/c1-11-5-7-12(8-6-11)14-9-10-15-13-3-2-4-13/h11-14H,2-10H2,1H3
InChIKeyLLVVDQZJQMWMOR-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.72
Rot. Bonds5

About N-(2-cyclobutyloxyethyl)-4-methylcyclohexan-1-amine

N-(2-cyclobutyloxyethyl)-4-methylcyclohexan-1-amine (PubChem CID 62584943) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-(2-cyclobutyloxyethyl)-4-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-cyclobutyloxyethyl)-4-methylcyclohexan-1-amine
PubChem CID62584943
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-(2-cyclobutyloxyethyl)-4-methylcyclohexan-1-amine
SMILESCC1CCC(NCCOC2CCC2)CC1
InChIInChI=1S/C13H25NO/c1-11-5-7-12(8-6-11)14-9-10-15-13-3-2-4-13/h11-14H,2-10H2,1H3
InChIKeyLLVVDQZJQMWMOR-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-cyclobutyloxyethyl)-4-methylcyclohexan-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-(2-cycloheptyloxyethyl)-4-methylcyclohexan-1-amine
CID 62583471
N-(2-cycloheptyloxyethyl)-3-methylcyclohexan-1-amine
CID 62585347
N-(2-cyclohexyloxyethyl)cyclohexanamine
CID 62567044
N-(2-methoxyethyl)-4-methylcycloheptan-1-amine
CID 65081207
N-(2-cyclohexyloxyethyl)-4-propylcyclohexan-1-amine
CID 63826755
N-(3-cyclohexyloxypropyl)-3-methylcyclopentan-1-amine
CID 64501250
N-(2-ethoxyethyl)-4-methylcyclohexan-1-amine
CID 43387964
N-(2-piperidin-4-yloxyethyl)cyclopropanamine
CID 63903398
N-(2-cyclopentyloxyethyl)-3-methoxycyclobutan-1-amine
CID 104871151
4-methyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine
CID 62567459
N-(2-heptoxyethyl)-4-methylcyclohexan-1-amine
CID 55195526
3-methyl-N-[2-(oxan-4-yloxy)ethyl]cyclohexan-1-amine
CID 62583661

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclobutyloxyethyl)-4-methylcyclohexan-1-amine?
The IUPAC name of N-(2-cyclobutyloxyethyl)-4-methylcyclohexan-1-amine (CID 62584943) is N-(2-cyclobutyloxyethyl)-4-methylcyclohexan-1-amine.
What is the SMILES notation for N-(2-cyclobutyloxyethyl)-4-methylcyclohexan-1-amine?
The canonical SMILES for N-(2-cyclobutyloxyethyl)-4-methylcyclohexan-1-amine is CC1CCC(NCCOC2CCC2)CC1.
What is the InChIKey of N-(2-cyclobutyloxyethyl)-4-methylcyclohexan-1-amine?
The InChIKey is LLVVDQZJQMWMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-11-5-7-12(8-6-11)14-9-10-15-13-3-2-4-13/h11-14H,2-10H2,1H3.
What are the key properties of N-(2-cyclobutyloxyethyl)-4-methylcyclohexan-1-amine?
N-(2-cyclobutyloxyethyl)-4-methylcyclohexan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclobutyloxyethyl)-4-methylcyclohexan-1-amine is sourced from PubChem (CID 62584943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).