3-ethoxy-N-(quinolin-4-ylmethyl)cyclobutan-1-amine

C16H20N2O — CID 103917632

IUPAC3-ethoxy-N-(quinolin-4-ylmethyl)cyclobutan-1-amine
SMILESCCOC1CC(NCc2ccnc3ccccc23)C1
InChIInChI=1S/C16H20N2O/c1-2-19-14-9-13(10-14)18-11-12-7-8-17-16-6-4-3-5-15(12)16/h3-8,13-14,18H,2,9-11H2,1H3
InChIKeyAXABHGNRDUSFAO-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.89
Rot. Bonds5

About 3-ethoxy-N-(quinolin-4-ylmethyl)cyclobutan-1-amine

3-ethoxy-N-(quinolin-4-ylmethyl)cyclobutan-1-amine (PubChem CID 103917632) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-ethoxy-N-(quinolin-4-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(quinolin-4-ylmethyl)cyclobutan-1-amine
PubChem CID103917632
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3-ethoxy-N-(quinolin-4-ylmethyl)cyclobutan-1-amine
SMILESCCOC1CC(NCc2ccnc3ccccc23)C1
InChIInChI=1S/C16H20N2O/c1-2-19-14-9-13(10-14)18-11-12-7-8-17-16-6-4-3-5-15(12)16/h3-8,13-14,18H,2,9-11H2,1H3
InChIKeyAXABHGNRDUSFAO-UHFFFAOYSA-N
XLogP2.89
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-N-[(2-methylquinolin-4-yl)methyl]cyclobutan-1-amine
CID 103921121
N-(quinolin-4-ylmethyl)cyclohexanamine
CID 62337129
N-(1-benzofuran-3-ylmethyl)-3-ethoxycyclobutan-1-amine
CID 103917742
N-(3-ethoxycyclobutyl)quinazolin-4-amine
CID 102609150
3-ethoxy-N-[(2-pyrazol-1-ylphenyl)methyl]cyclobutan-1-amine
CID 115903723
2,2-dimethyl-N-(quinolin-4-ylmethyl)cyclopropan-1-amine
CID 55258797
3,3-dimethyl-N-(quinolin-4-ylmethyl)cyclohexan-1-amine
CID 81435291
N-(quinolin-4-ylmethyl)ethanamine
CID 58978367
N-methoxy-1-quinolin-4-ylmethanamine
CID 79235633
2-propan-2-yl-N-(quinolin-4-ylmethyl)cyclohexan-1-amine
CID 78952536
1-cyclobutyl-N-(quinolin-4-ylmethyl)methanamine
CID 63850221
3-(quinolin-4-ylmethoxy)cyclopentan-1-amine
CID 79466097

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(quinolin-4-ylmethyl)cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-N-(quinolin-4-ylmethyl)cyclobutan-1-amine (CID 103917632) is 3-ethoxy-N-(quinolin-4-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(quinolin-4-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-N-(quinolin-4-ylmethyl)cyclobutan-1-amine is CCOC1CC(NCc2ccnc3ccccc23)C1.
What is the InChIKey of 3-ethoxy-N-(quinolin-4-ylmethyl)cyclobutan-1-amine?
The InChIKey is AXABHGNRDUSFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-2-19-14-9-13(10-14)18-11-12-7-8-17-16-6-4-3-5-15(12)16/h3-8,13-14,18H,2,9-11H2,1H3.
What are the key properties of 3-ethoxy-N-(quinolin-4-ylmethyl)cyclobutan-1-amine?
3-ethoxy-N-(quinolin-4-ylmethyl)cyclobutan-1-amine has a molecular weight of 256.35 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(quinolin-4-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 103917632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).