N-(2-butoxyethyl)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine

C15H31NO2 — CID 65168217

IUPACN-(2-butoxyethyl)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
SMILESCCCCOCCNC1CC(OCC)C1(C)CC
InChIInChI=1S/C15H31NO2/c1-5-8-10-17-11-9-16-13-12-14(18-7-3)15(13,4)6-2/h13-14,16H,5-12H2,1-4H3
InChIKeyYNUMBXYUJWNASR-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.99
Rot. Bonds10

About N-(2-butoxyethyl)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine

N-(2-butoxyethyl)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine (PubChem CID 65168217) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is N-(2-butoxyethyl)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN-(2-butoxyethyl)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
PubChem CID65168217
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC NameN-(2-butoxyethyl)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
SMILESCCCCOCCNC1CC(OCC)C1(C)CC
InChIInChI=1S/C15H31NO2/c1-5-8-10-17-11-9-16-13-12-14(18-7-3)15(13,4)6-2/h13-14,16H,5-12H2,1-4H3
InChIKeyYNUMBXYUJWNASR-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.99
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

3-ethoxy-N-(2-ethoxyethyl)-2-ethyl-2-methylcyclobutan-1-amine
CID 65167908
3-butoxy-2-ethyl-2-methyl-N-propylcyclobutan-1-amine
CID 66356652
3-ethoxy-2-ethyl-2-methyl-N-(3-methylsulfinylpropyl)cyclobutan-1-amine
CID 113487325
2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]ethyl carbamate
CID 83210264
N-but-3-ynyl-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
CID 65169189
3-ethoxy-2-ethyl-2-methyl-N-(2-methylpropyl)cyclobutan-1-amine
CID 65170309
2-ethyl-3-(2-methoxyethoxy)-2-methyl-N-propylcyclobutan-1-amine
CID 66357580
1-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]pentan-3-ol
CID 113497546
4-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]-1-methoxybutan-2-ol
CID 106245384
N-[2-(azepan-1-yl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
CID 65167643
N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)hydroxylamine
CID 82685490
3-ethoxy-2-ethyl-2-methyl-N-(3-methylbut-2-enyl)cyclobutan-1-amine
CID 106180794

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine?
The IUPAC name of N-(2-butoxyethyl)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine (CID 65168217) is N-(2-butoxyethyl)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine.
What is the SMILES notation for N-(2-butoxyethyl)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine?
The canonical SMILES for N-(2-butoxyethyl)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine is CCCCOCCNC1CC(OCC)C1(C)CC.
What is the InChIKey of N-(2-butoxyethyl)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine?
The InChIKey is YNUMBXYUJWNASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-5-8-10-17-11-9-16-13-12-14(18-7-3)15(13,4)6-2/h13-14,16H,5-12H2,1-4H3.
What are the key properties of N-(2-butoxyethyl)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine?
N-(2-butoxyethyl)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 2.99, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine is sourced from PubChem (CID 65168217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).