3-ethoxy-2,2-dimethyl-N-(2-phenylprop-2-enyl)cyclobutan-1-amine

C17H25NO — CID 103921124

IUPAC3-ethoxy-2,2-dimethyl-N-(2-phenylprop-2-enyl)cyclobutan-1-amine
SMILESC=C(CNC1CC(OCC)C1(C)C)c1ccccc1
InChIInChI=1S/C17H25NO/c1-5-19-16-11-15(17(16,3)4)18-12-13(2)14-9-7-6-8-10-14/h6-10,15-16,18H,2,5,11-12H2,1,3-4H3
InChIKeyBOCFQNWIHZMWDT-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.49
Rot. Bonds6

About 3-ethoxy-2,2-dimethyl-N-(2-phenylprop-2-enyl)cyclobutan-1-amine

3-ethoxy-2,2-dimethyl-N-(2-phenylprop-2-enyl)cyclobutan-1-amine (PubChem CID 103921124) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 3-ethoxy-2,2-dimethyl-N-(2-phenylprop-2-enyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2,2-dimethyl-N-(2-phenylprop-2-enyl)cyclobutan-1-amine
PubChem CID103921124
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name3-ethoxy-2,2-dimethyl-N-(2-phenylprop-2-enyl)cyclobutan-1-amine
SMILESC=C(CNC1CC(OCC)C1(C)C)c1ccccc1
InChIInChI=1S/C17H25NO/c1-5-19-16-11-15(17(16,3)4)18-12-13(2)14-9-7-6-8-10-14/h6-10,15-16,18H,2,5,11-12H2,1,3-4H3
InChIKeyBOCFQNWIHZMWDT-UHFFFAOYSA-N
XLogP3.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-2,2-dimethyl-N-(naphthalen-1-ylmethyl)cyclobutan-1-amine
CID 64852908
3-ethoxy-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]cyclobutan-1-amine
CID 79763220
2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N-ethylacetamide
CID 64850730
N-ethyl-2,2-dimethyl-3-phenylmethoxycyclobutan-1-amine
CID 66358982
1-(2-chlorophenyl)-2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]ethanol
CID 103921901
cis-(1R,3S)-3-ethoxy-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 95241171
3-ethoxy-N-[(4-methoxyphenyl)methyl]-2,2-dimethylcyclobutan-1-amine
CID 64687156
tert-butyl 2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]acetate
CID 81463231
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-fluoroaniline
CID 64851695
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-ethylaniline
CID 64852282
3-ethoxy-2,2-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]cyclobutan-1-amine
CID 113239738
N-(2-phenylprop-2-enyl)cyclopropanamine
CID 18333838

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,2-dimethyl-N-(2-phenylprop-2-enyl)cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2,2-dimethyl-N-(2-phenylprop-2-enyl)cyclobutan-1-amine (CID 103921124) is 3-ethoxy-2,2-dimethyl-N-(2-phenylprop-2-enyl)cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2,2-dimethyl-N-(2-phenylprop-2-enyl)cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2,2-dimethyl-N-(2-phenylprop-2-enyl)cyclobutan-1-amine is C=C(CNC1CC(OCC)C1(C)C)c1ccccc1.
What is the InChIKey of 3-ethoxy-2,2-dimethyl-N-(2-phenylprop-2-enyl)cyclobutan-1-amine?
The InChIKey is BOCFQNWIHZMWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-5-19-16-11-15(17(16,3)4)18-12-13(2)14-9-7-6-8-10-14/h6-10,15-16,18H,2,5,11-12H2,1,3-4H3.
What are the key properties of 3-ethoxy-2,2-dimethyl-N-(2-phenylprop-2-enyl)cyclobutan-1-amine?
3-ethoxy-2,2-dimethyl-N-(2-phenylprop-2-enyl)cyclobutan-1-amine has a molecular weight of 259.39 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,2-dimethyl-N-(2-phenylprop-2-enyl)cyclobutan-1-amine is sourced from PubChem (CID 103921124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).