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

C16H33NO2 — CID 103984545

IUPACN-[[4-tert-butyl-1-(methoxymethyl)cyclohexyl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(COC)CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H33NO2/c1-15(2,3)14-6-8-16(9-7-14,13-19-5)12-17-10-11-18-4/h14,17H,6-13H2,1-5H3
InChIKeyBXGORECNXNZMQV-UHFFFAOYSA-N
MW271.44 g/mol
LogP3.09
Rot. Bonds7

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

N-[[4-tert-butyl-1-(methoxymethyl)cyclohexyl]methyl]-2-methoxyethanamine (PubChem CID 103984545) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is N-[[4-tert-butyl-1-(methoxymethyl)cyclohexyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[4-tert-butyl-1-(methoxymethyl)cyclohexyl]methyl]-2-methoxyethanamine
PubChem CID103984545
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC NameN-[[4-tert-butyl-1-(methoxymethyl)cyclohexyl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(COC)CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H33NO2/c1-15(2,3)14-6-8-16(9-7-14,13-19-5)12-17-10-11-18-4/h14,17H,6-13H2,1-5H3
InChIKeyBXGORECNXNZMQV-UHFFFAOYSA-N
XLogP3.09
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 53.09
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-tert-butyl-1-(methoxymethyl)cyclohexyl]methyl]ethanamine
CID 113361862
N-[(1-butyl-4-tert-butylcyclohexyl)methyl]-2-methoxyethanamine
CID 63509628
N-[[4-tert-butyl-1-(3-methoxypropyl)cyclohexyl]methyl]propan-1-amine
CID 63507372
N-[[4-butyl-1-(ethoxymethyl)cyclohexyl]methyl]-2-methoxyethanamine
CID 103984483
2-methoxy-N-[[3-(methoxymethyl)oxolan-3-yl]methyl]ethanamine
CID 103984642
1-[(2-methoxyethylamino)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 62774535
1-[(2-methoxyethylamino)methyl]-4-methylcyclohexan-1-ol
CID 62773369
N-[(7-tert-butylspiro[2.6]nonan-2-yl)methyl]-2-methoxyethanamine
CID 65094892
N-[[4-tert-butyl-1-(3-methoxypropyl)cyclohexyl]methyl]cyclopropanamine
CID 62725035
N-[[4-tert-butyl-1-(2-ethoxyethyl)cyclohexyl]methyl]ethanamine
CID 62724223
[1-[(2-methoxyethylamino)methyl]cyclopropyl]methanol
CID 115454729
N-[[4-tert-butyl-1-(cyclopentylmethyl)cyclohexyl]methyl]propan-1-amine
CID 63509617

Frequently Asked Questions

What is the IUPAC name of N-[[4-tert-butyl-1-(methoxymethyl)cyclohexyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[4-tert-butyl-1-(methoxymethyl)cyclohexyl]methyl]-2-methoxyethanamine (CID 103984545) is N-[[4-tert-butyl-1-(methoxymethyl)cyclohexyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[4-tert-butyl-1-(methoxymethyl)cyclohexyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[4-tert-butyl-1-(methoxymethyl)cyclohexyl]methyl]-2-methoxyethanamine is COCCNCC1(COC)CCC(C(C)(C)C)CC1.
What is the InChIKey of N-[[4-tert-butyl-1-(methoxymethyl)cyclohexyl]methyl]-2-methoxyethanamine?
The InChIKey is BXGORECNXNZMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-15(2,3)14-6-8-16(9-7-14,13-19-5)12-17-10-11-18-4/h14,17H,6-13H2,1-5H3.
What are the key properties of N-[[4-tert-butyl-1-(methoxymethyl)cyclohexyl]methyl]-2-methoxyethanamine?
N-[[4-tert-butyl-1-(methoxymethyl)cyclohexyl]methyl]-2-methoxyethanamine has a molecular weight of 271.44 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-tert-butyl-1-(methoxymethyl)cyclohexyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 103984545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).