2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]ethyl carbamate

C12H24N2O3 — CID 83210264

IUPAC2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]ethyl carbamate
SMILESCCOC1CC(NCCOC(N)=O)C1(C)CC
InChIInChI=1S/C12H24N2O3/c1-4-12(3)9(8-10(12)16-5-2)14-6-7-17-11(13)15/h9-10,14H,4-8H2,1-3H3,(H2,13,15)
InChIKeyHCLPBCUQIPNGPC-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.26
Rot. Bonds7

About 2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]ethyl carbamate

2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]ethyl carbamate (PubChem CID 83210264) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]ethyl carbamate
PubChem CID83210264
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]ethyl carbamate
SMILESCCOC1CC(NCCOC(N)=O)C1(C)CC
InChIInChI=1S/C12H24N2O3/c1-4-12(3)9(8-10(12)16-5-2)14-6-7-17-11(13)15/h9-10,14H,4-8H2,1-3H3,(H2,13,15)
InChIKeyHCLPBCUQIPNGPC-UHFFFAOYSA-N
XLogP1.26
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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
N-(2-butoxyethyl)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
CID 65168217
3-ethoxy-2-ethyl-2-methyl-N-(3-methylsulfinylpropyl)cyclobutan-1-amine
CID 113487325
N-but-3-ynyl-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
CID 65169189
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
3-ethoxy-2-ethyl-2-methyl-N-(2-methylpropyl)cyclobutan-1-amine
CID 65170309
N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)hydroxylamine
CID 82685490
2-ethyl-3-(2-methoxyethoxy)-2-methyl-N-propylcyclobutan-1-amine
CID 66357580
3-ethoxy-2-ethyl-2-methyl-N-(3-methylbut-2-enyl)cyclobutan-1-amine
CID 106180794
ethyl 2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]propanoate
CID 65167647
N-[2-(azepan-1-yl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
CID 65167643

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]ethyl carbamate?
The IUPAC name of 2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]ethyl carbamate (CID 83210264) is 2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]ethyl carbamate?
The canonical SMILES for 2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]ethyl carbamate is CCOC1CC(NCCOC(N)=O)C1(C)CC.
What is the InChIKey of 2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]ethyl carbamate?
The InChIKey is HCLPBCUQIPNGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-4-12(3)9(8-10(12)16-5-2)14-6-7-17-11(13)15/h9-10,14H,4-8H2,1-3H3,(H2,13,15).
What are the key properties of 2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]ethyl carbamate?
2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]ethyl carbamate has a molecular weight of 244.33 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]ethyl carbamate is sourced from PubChem (CID 83210264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).