N-(2-methoxyethyl)-4-(3-methylcyclohexyl)oxybutan-1-amine

C14H29NO2 — CID 62597111

IUPACN-(2-methoxyethyl)-4-(3-methylcyclohexyl)oxybutan-1-amine
SMILESCOCCNCCCCOC1CCCC(C)C1
InChIInChI=1S/C14H29NO2/c1-13-6-5-7-14(12-13)17-10-4-3-8-15-9-11-16-2/h13-15H,3-12H2,1-2H3
InChIKeyCRIBNJFJGKLHLO-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.60
Rot. Bonds9

About N-(2-methoxyethyl)-4-(3-methylcyclohexyl)oxybutan-1-amine

N-(2-methoxyethyl)-4-(3-methylcyclohexyl)oxybutan-1-amine (PubChem CID 62597111) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-(3-methylcyclohexyl)oxybutan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-(3-methylcyclohexyl)oxybutan-1-amine
PubChem CID62597111
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC NameN-(2-methoxyethyl)-4-(3-methylcyclohexyl)oxybutan-1-amine
SMILESCOCCNCCCCOC1CCCC(C)C1
InChIInChI=1S/C14H29NO2/c1-13-6-5-7-14(12-13)17-10-4-3-8-15-9-11-16-2/h13-15H,3-12H2,1-2H3
InChIKeyCRIBNJFJGKLHLO-UHFFFAOYSA-N
XLogP2.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methylcyclohexyl)oxy-N-(2-methylpropyl)butan-1-amine
CID 62455906
1-(4-methoxybutylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 60970955
N-(2-methoxyethyl)-4-(3-methylcyclohexyl)sulfanylbutan-1-amine
CID 55111698
N-(2-cyclopentyloxyethyl)-2-methoxyethanamine
CID 62564778
N-benzyl-3-(3-methylcyclohexyl)oxypropan-1-amine
CID 114783095
N-(2-cyclohexyloxyethyl)-3-methoxypropan-1-amine
CID 62567637
2-methoxy-N-[2-(4-methylcyclohexyl)oxyethyl]ethanamine
CID 62566706
N-(2-methoxyethyl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-amine
CID 55088056
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234
5-cyclopentyloxy-N-ethylpentan-1-amine
CID 62444829
1-(2-cyclopentyloxyethylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 63828739
2-methoxy-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]ethanamine
CID 62599023

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-(3-methylcyclohexyl)oxybutan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-4-(3-methylcyclohexyl)oxybutan-1-amine (CID 62597111) is N-(2-methoxyethyl)-4-(3-methylcyclohexyl)oxybutan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-(3-methylcyclohexyl)oxybutan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-(3-methylcyclohexyl)oxybutan-1-amine is COCCNCCCCOC1CCCC(C)C1.
What is the InChIKey of N-(2-methoxyethyl)-4-(3-methylcyclohexyl)oxybutan-1-amine?
The InChIKey is CRIBNJFJGKLHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-13-6-5-7-14(12-13)17-10-4-3-8-15-9-11-16-2/h13-15H,3-12H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-4-(3-methylcyclohexyl)oxybutan-1-amine?
N-(2-methoxyethyl)-4-(3-methylcyclohexyl)oxybutan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 2.60, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-(3-methylcyclohexyl)oxybutan-1-amine is sourced from PubChem (CID 62597111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).