3-amino-N-(2-cyclohexyloxyethyl)-4-methylcyclohexane-1-carboxamide

C16H30N2O2 — CID 63833458

IUPAC3-amino-N-(2-cyclohexyloxyethyl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NCCOC2CCCCC2)CC1N
InChIInChI=1S/C16H30N2O2/c1-12-7-8-13(11-15(12)17)16(19)18-9-10-20-14-5-3-2-4-6-14/h12-15H,2-11,17H2,1H3,(H,18,19)
InChIKeyYJYFIEQLJSCTLU-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.22
Rot. Bonds5

About 3-amino-N-(2-cyclohexyloxyethyl)-4-methylcyclohexane-1-carboxamide

3-amino-N-(2-cyclohexyloxyethyl)-4-methylcyclohexane-1-carboxamide (PubChem CID 63833458) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 3-amino-N-(2-cyclohexyloxyethyl)-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-cyclohexyloxyethyl)-4-methylcyclohexane-1-carboxamide
PubChem CID63833458
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name3-amino-N-(2-cyclohexyloxyethyl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NCCOC2CCCCC2)CC1N
InChIInChI=1S/C16H30N2O2/c1-12-7-8-13(11-15(12)17)16(19)18-9-10-20-14-5-3-2-4-6-14/h12-15H,2-11,17H2,1H3,(H,18,19)
InChIKeyYJYFIEQLJSCTLU-UHFFFAOYSA-N
XLogP2.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2-cyclopentyloxyethyl)-3-methylcyclohexane-1-carboxamide
CID 63832217
5-amino-N-(2-cyclohexyloxyethyl)-2,4-dimethylcyclohexane-1-carboxamide
CID 102706761
N-(2-cyclohexyloxyethyl)cyclohexanecarboxamide
CID 140689700
3-amino-4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide
CID 62781322
3-amino-4-methyl-N-(7-methyloctyl)cyclohexane-1-carboxamide
CID 107818268
9-amino-N-(2-cyclopentyloxyethyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120986701
3-amino-N-[2-(2-methylcyclohexyl)oxyethyl]cyclopentane-1-carboxamide
CID 119723094
3-amino-4-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 62993831
2-amino-N-(2-cyclopentyloxyethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119737689
trans-(1R,2R)-2-(2-cyclopentyloxyethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 98583524
N-(2-cyclopentyloxyethyl)piperidine-4-carboxamide
CID 63828643
cis-(1R,2S)-2-(2-cyclopentyloxyethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 98583525

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-cyclohexyloxyethyl)-4-methylcyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(2-cyclohexyloxyethyl)-4-methylcyclohexane-1-carboxamide (CID 63833458) is 3-amino-N-(2-cyclohexyloxyethyl)-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(2-cyclohexyloxyethyl)-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(2-cyclohexyloxyethyl)-4-methylcyclohexane-1-carboxamide is CC1CCC(C(=O)NCCOC2CCCCC2)CC1N.
What is the InChIKey of 3-amino-N-(2-cyclohexyloxyethyl)-4-methylcyclohexane-1-carboxamide?
The InChIKey is YJYFIEQLJSCTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-12-7-8-13(11-15(12)17)16(19)18-9-10-20-14-5-3-2-4-6-14/h12-15H,2-11,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-N-(2-cyclohexyloxyethyl)-4-methylcyclohexane-1-carboxamide?
3-amino-N-(2-cyclohexyloxyethyl)-4-methylcyclohexane-1-carboxamide has a molecular weight of 282.43 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-cyclohexyloxyethyl)-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 63833458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).