N-[[4-butyl-1-(ethoxymethyl)cyclohexyl]methyl]-2-methoxyethanamine

C17H35NO2 — CID 103984483

IUPACN-[[4-butyl-1-(ethoxymethyl)cyclohexyl]methyl]-2-methoxyethanamine
SMILESCCCCC1CCC(CNCCOC)(COCC)CC1
InChIInChI=1S/C17H35NO2/c1-4-6-7-16-8-10-17(11-9-16,15-20-5-2)14-18-12-13-19-3/h16,18H,4-15H2,1-3H3
InChIKeyHLNZTQPEEKMSQL-UHFFFAOYSA-N
MW285.47 g/mol
LogP3.63
Rot. Bonds11

About N-[[4-butyl-1-(ethoxymethyl)cyclohexyl]methyl]-2-methoxyethanamine

N-[[4-butyl-1-(ethoxymethyl)cyclohexyl]methyl]-2-methoxyethanamine (PubChem CID 103984483) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is N-[[4-butyl-1-(ethoxymethyl)cyclohexyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[4-butyl-1-(ethoxymethyl)cyclohexyl]methyl]-2-methoxyethanamine
PubChem CID103984483
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC NameN-[[4-butyl-1-(ethoxymethyl)cyclohexyl]methyl]-2-methoxyethanamine
SMILESCCCCC1CCC(CNCCOC)(COCC)CC1
InChIInChI=1S/C17H35NO2/c1-4-6-7-16-8-10-17(11-9-16,15-20-5-2)14-18-12-13-19-3/h16,18H,4-15H2,1-3H3
InChIKeyHLNZTQPEEKMSQL-UHFFFAOYSA-N
XLogP3.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 53.63
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

N-[[4-butyl-1-(2-methoxyethyl)cyclohexyl]methyl]propan-1-amine
CID 63522013
N-[[4-butyl-1-(ethoxymethyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 103984479
1-[4-butyl-1-(methoxymethyl)cyclohexyl]-N-methylmethanamine
CID 103984471
N-[(4-butylcyclohexyl)methyl]-2-methoxyethanamine
CID 62542657
N-[(1-butyl-4-tert-butylcyclohexyl)methyl]-2-methoxyethanamine
CID 63509628
1-[4-butyl-1-(2-ethoxyethyl)cyclohexyl]-N-methylmethanamine
CID 62724574
N-[[4-tert-butyl-1-(methoxymethyl)cyclohexyl]methyl]-2-methoxyethanamine
CID 103984545
N-[(1-butylcyclobutyl)methyl]-2-methoxyethanamine
CID 65196075
N-[(1-hexylcyclopropyl)methyl]-2-methoxyethanamine
CID 66026488
N-[(1,4-dibutylcyclohexyl)methyl]ethanamine
CID 63523259
N-[[1-(ethoxymethyl)cyclopentyl]methyl]propan-1-amine
CID 103984505
[4-butyl-1-(3-methoxypropyl)cyclohexyl]methanamine
CID 62739053

Frequently Asked Questions

What is the IUPAC name of N-[[4-butyl-1-(ethoxymethyl)cyclohexyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[4-butyl-1-(ethoxymethyl)cyclohexyl]methyl]-2-methoxyethanamine (CID 103984483) is N-[[4-butyl-1-(ethoxymethyl)cyclohexyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[4-butyl-1-(ethoxymethyl)cyclohexyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[4-butyl-1-(ethoxymethyl)cyclohexyl]methyl]-2-methoxyethanamine is CCCCC1CCC(CNCCOC)(COCC)CC1.
What is the InChIKey of N-[[4-butyl-1-(ethoxymethyl)cyclohexyl]methyl]-2-methoxyethanamine?
The InChIKey is HLNZTQPEEKMSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2/c1-4-6-7-16-8-10-17(11-9-16,15-20-5-2)14-18-12-13-19-3/h16,18H,4-15H2,1-3H3.
What are the key properties of N-[[4-butyl-1-(ethoxymethyl)cyclohexyl]methyl]-2-methoxyethanamine?
N-[[4-butyl-1-(ethoxymethyl)cyclohexyl]methyl]-2-methoxyethanamine has a molecular weight of 285.47 g/mol, XLogP of 3.63, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-butyl-1-(ethoxymethyl)cyclohexyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 103984483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).