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

C16H24N2O3 — CID 64851923

IUPAC3-ethoxy-2,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]cyclobutan-1-amine
SMILESCCOC1CC(NC(C)c2cccc([N+](=O)[O-])c2)C1(C)C
InChIInChI=1S/C16H24N2O3/c1-5-21-15-10-14(16(15,3)4)17-11(2)12-7-6-8-13(9-12)18(19)20/h6-9,11,14-15,17H,5,10H2,1-4H3
InChIKeyYBMLZOVWEAXPFF-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.45
Rot. Bonds6

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

3-ethoxy-2,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]cyclobutan-1-amine (PubChem CID 64851923) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-ethoxy-2,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]cyclobutan-1-amine
PubChem CID64851923
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-ethoxy-2,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]cyclobutan-1-amine
SMILESCCOC1CC(NC(C)c2cccc([N+](=O)[O-])c2)C1(C)C
InChIInChI=1S/C16H24N2O3/c1-5-21-15-10-14(16(15,3)4)17-11(2)12-7-6-8-13(9-12)18(19)20/h6-9,11,14-15,17H,5,10H2,1-4H3
InChIKeyYBMLZOVWEAXPFF-UHFFFAOYSA-N
XLogP3.45
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-2,2-dimethyl-N-[(1R)-1-pyridin-4-ylethyl]cyclobutan-1-amine
CID 81406092
N-(cyclopropylmethyl)-1-(3-nitrophenyl)ethanamine
CID 43200769
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 64850341
1-N-[1-(3-nitrophenyl)ethyl]cyclobutane-1,3-diamine
CID 80560865
3-ethoxy-N-[1-(furan-3-yl)ethyl]-2,2-dimethylcyclobutan-1-amine
CID 103784928
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methyl-4-nitroaniline
CID 64851910
3,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]cyclohexan-1-amine
CID 64752209
N-(3-ethoxy-2,2-dimethylcyclobutyl)-3-methoxy-2-nitroaniline
CID 104917678
N-[(1S)-1-(3-bromophenyl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
CID 81382778
3-ethoxy-2,2-dimethyl-N-[1-(2-methylphenyl)ethyl]cyclobutan-1-amine
CID 64852089
3-ethoxy-N-[1-(furan-2-yl)ethyl]-2,2-dimethylcyclobutan-1-amine
CID 64853268
2,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]-1,3-dioxan-5-amine
CID 104585272

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]cyclobutan-1-amine (CID 64851923) is 3-ethoxy-2,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]cyclobutan-1-amine is CCOC1CC(NC(C)c2cccc([N+](=O)[O-])c2)C1(C)C.
What is the InChIKey of 3-ethoxy-2,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]cyclobutan-1-amine?
The InChIKey is YBMLZOVWEAXPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-21-15-10-14(16(15,3)4)17-11(2)12-7-6-8-13(9-12)18(19)20/h6-9,11,14-15,17H,5,10H2,1-4H3.
What are the key properties of 3-ethoxy-2,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]cyclobutan-1-amine?
3-ethoxy-2,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]cyclobutan-1-amine has a molecular weight of 292.38 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 64851923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).