N-[[2-[3-(2-methoxyethoxy)propyl]cyclobutyl]methyl]-2-methylpropan-2-amine

C15H31NO2 — CID 103415897

IUPACN-[[2-[3-(2-methoxyethoxy)propyl]cyclobutyl]methyl]-2-methylpropan-2-amine
SMILESCOCCOCCCC1CCC1CNC(C)(C)C
InChIInChI=1S/C15H31NO2/c1-15(2,3)16-12-14-8-7-13(14)6-5-9-18-11-10-17-4/h13-14,16H,5-12H2,1-4H3
InChIKeyVAEXNVLCVJYAJS-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.84
Rot. Bonds9

About N-[[2-[3-(2-methoxyethoxy)propyl]cyclobutyl]methyl]-2-methylpropan-2-amine

N-[[2-[3-(2-methoxyethoxy)propyl]cyclobutyl]methyl]-2-methylpropan-2-amine (PubChem CID 103415897) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is N-[[2-[3-(2-methoxyethoxy)propyl]cyclobutyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-[3-(2-methoxyethoxy)propyl]cyclobutyl]methyl]-2-methylpropan-2-amine
PubChem CID103415897
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC NameN-[[2-[3-(2-methoxyethoxy)propyl]cyclobutyl]methyl]-2-methylpropan-2-amine
SMILESCOCCOCCCC1CCC1CNC(C)(C)C
InChIInChI=1S/C15H31NO2/c1-15(2,3)16-12-14-8-7-13(14)6-5-9-18-11-10-17-4/h13-14,16H,5-12H2,1-4H3
InChIKeyVAEXNVLCVJYAJS-UHFFFAOYSA-N
XLogP2.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.84
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-[[2-(3-methoxypropyl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81031272
1-[2-[3-(2-methoxyethoxy)propyl]cyclohexyl]-N-methylmethanamine
CID 103415921
N-[[2-[3-(2-methoxyethoxy)propyl]cycloheptyl]methyl]ethanamine
CID 103415943
2-[3-(2-methoxyethoxy)propyl]cyclobutan-1-amine
CID 103415817
N-[3-(2-methoxyethoxy)propyl]-2-methylpropan-2-amine
CID 62455424
N-[3-[3-(2-methoxyethoxy)propoxy]propyl]-2-methylpropan-2-amine
CID 103401793
[2-(3-methoxypropyl)cyclobutyl]methanamine
CID 81010610
N-tert-butyl-4-[3-(2-methoxyethoxy)propoxy]butan-1-amine
CID 103406524
N-[[2-(3-methoxypropyl)cyclobutyl]methyl]propan-2-amine
CID 81017330
3-[3-(2-methoxyethoxy)propyl]-2-methylcyclopentan-1-ol
CID 103413817
N-[[5-(2-methoxyethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine
CID 55077944
2-[3-(2-methoxyethoxy)propyl]cyclohexan-1-amine
CID 103410699

Frequently Asked Questions

What is the IUPAC name of N-[[2-[3-(2-methoxyethoxy)propyl]cyclobutyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-[3-(2-methoxyethoxy)propyl]cyclobutyl]methyl]-2-methylpropan-2-amine (CID 103415897) is N-[[2-[3-(2-methoxyethoxy)propyl]cyclobutyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-[3-(2-methoxyethoxy)propyl]cyclobutyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-[3-(2-methoxyethoxy)propyl]cyclobutyl]methyl]-2-methylpropan-2-amine is COCCOCCCC1CCC1CNC(C)(C)C.
What is the InChIKey of N-[[2-[3-(2-methoxyethoxy)propyl]cyclobutyl]methyl]-2-methylpropan-2-amine?
The InChIKey is VAEXNVLCVJYAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-15(2,3)16-12-14-8-7-13(14)6-5-9-18-11-10-17-4/h13-14,16H,5-12H2,1-4H3.
What are the key properties of N-[[2-[3-(2-methoxyethoxy)propyl]cyclobutyl]methyl]-2-methylpropan-2-amine?
N-[[2-[3-(2-methoxyethoxy)propyl]cyclobutyl]methyl]-2-methylpropan-2-amine has a molecular weight of 257.42 g/mol, XLogP of 2.84, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[3-(2-methoxyethoxy)propyl]cyclobutyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 103415897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).