1-butyl-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)piperidin-4-amine

C18H34N2O — CID 64865569

IUPAC1-butyl-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)piperidin-4-amine
SMILESCCCCN1CCC(NC2C3CCCOC3C2(C)C)CC1
InChIInChI=1S/C18H34N2O/c1-4-5-10-20-11-8-14(9-12-20)19-16-15-7-6-13-21-17(15)18(16,2)3/h14-17,19H,4-13H2,1-3H3
InChIKeyCCZOVVZSLNRHML-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.04
Rot. Bonds5

About 1-butyl-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)piperidin-4-amine

1-butyl-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)piperidin-4-amine (PubChem CID 64865569) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 1-butyl-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-butyl-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)piperidin-4-amine
PubChem CID64865569
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name1-butyl-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)piperidin-4-amine
SMILESCCCCN1CCC(NC2C3CCCOC3C2(C)C)CC1
InChIInChI=1S/C18H34N2O/c1-4-5-10-20-11-8-14(9-12-20)19-16-15-7-6-13-21-17(15)18(16,2)3/h14-17,19H,4-13H2,1-3H3
InChIKeyCCZOVVZSLNRHML-UHFFFAOYSA-N
XLogP3.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-butyl-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-propylpiperidin-4-amine
CID 64863107
N-cyclopentyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64872035
1-butyl-N-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine
CID 79927122
1-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-3-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylguanidine;hydroiodide
CID 119162137
8,8-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 64863813
N-(2-ethylcyclohexyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 64862846
1-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-3-ethyl-2-(2-piperidin-1-ylethyl)guanidine
CID 119145824
8,8-dimethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 79352806
7,7-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64864491
8,8-dimethyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-oxabicyclo[4.2.0]octan-7-amine
CID 64865555
N-[(1S)-1-cycloheptylethyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 81390910
8,8-dimethyl-N-(2-methyl-3-piperidin-1-ylpropyl)-2-oxabicyclo[4.2.0]octan-7-amine
CID 64865180

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)piperidin-4-amine?
The IUPAC name of 1-butyl-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)piperidin-4-amine (CID 64865569) is 1-butyl-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)piperidin-4-amine.
What is the SMILES notation for 1-butyl-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)piperidin-4-amine?
The canonical SMILES for 1-butyl-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)piperidin-4-amine is CCCCN1CCC(NC2C3CCCOC3C2(C)C)CC1.
What is the InChIKey of 1-butyl-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)piperidin-4-amine?
The InChIKey is CCZOVVZSLNRHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-4-5-10-20-11-8-14(9-12-20)19-16-15-7-6-13-21-17(15)18(16,2)3/h14-17,19H,4-13H2,1-3H3.
What are the key properties of 1-butyl-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)piperidin-4-amine?
1-butyl-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)piperidin-4-amine has a molecular weight of 294.48 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)piperidin-4-amine is sourced from PubChem (CID 64865569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).