3-ethoxy-2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine

C14H27NO2 — CID 113352236

IUPAC3-ethoxy-2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine
SMILESC=C(C)COCCNC1CC(OCC)C1(C)C
InChIInChI=1S/C14H27NO2/c1-6-17-13-9-12(14(13,4)5)15-7-8-16-10-11(2)3/h12-13,15H,2,6-10H2,1,3-5H3
InChIKeyKZKRAUYEVLYLRH-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.37
Rot. Bonds8

About 3-ethoxy-2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine

3-ethoxy-2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine (PubChem CID 113352236) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 3-ethoxy-2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine
PubChem CID113352236
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name3-ethoxy-2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine
SMILESC=C(C)COCCNC1CC(OCC)C1(C)C
InChIInChI=1S/C14H27NO2/c1-6-17-13-9-12(14(13,4)5)15-7-8-16-10-11(2)3/h12-13,15H,2,6-10H2,1,3-5H3
InChIKeyKZKRAUYEVLYLRH-UHFFFAOYSA-N
XLogP2.37
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-N-(1-ethoxypropan-2-yl)-2,2-dimethylcyclobutan-1-amine
CID 64850563
N-(2-methoxyethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 64850966
3-ethoxy-N-(2-ethoxyethyl)-2,2-dimethylcyclobutan-1-amine
CID 64851125
3-ethoxy-2,2-dimethyl-N-[2-(3-methylbutoxy)ethyl]cyclobutan-1-amine
CID 64851157
N-(1-ethoxypropan-2-yl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 64851387
3-ethoxy-N-(1-methoxybutan-2-yl)-2,2-dimethylcyclobutan-1-amine
CID 64851552
3-ethoxy-N-(2-methoxyethyl)-2,2-dimethylcyclobutan-1-amine
CID 64851690
3-ethoxy-N-(1-methoxypentan-2-yl)-2,2-dimethylcyclobutan-1-amine
CID 64851742
N-(2-ethoxyethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 64851759
N-(1-methoxybutan-2-yl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 64851969
N-(1-methoxypropan-2-yl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 64852136
N-(2-butoxyethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 64853099

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine (CID 113352236) is 3-ethoxy-2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine is C=C(C)COCCNC1CC(OCC)C1(C)C.
What is the InChIKey of 3-ethoxy-2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine?
The InChIKey is KZKRAUYEVLYLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-6-17-13-9-12(14(13,4)5)15-7-8-16-10-11(2)3/h12-13,15H,2,6-10H2,1,3-5H3.
What are the key properties of 3-ethoxy-2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine?
3-ethoxy-2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine has a molecular weight of 241.37 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 113352236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).