N-(3-methoxycyclobutyl)-1-(3-methylbut-2-enyl)piperidin-4-amine

C15H28N2O — CID 104584639

IUPACN-(3-methoxycyclobutyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCOC1CC(NC2CCN(CC=C(C)C)CC2)C1
InChIInChI=1S/C15H28N2O/c1-12(2)4-7-17-8-5-13(6-9-17)16-14-10-15(11-14)18-3/h4,13-16H,5-11H2,1-3H3
InChIKeyFKGNVRZGWNENEU-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.18
Rot. Bonds5

About N-(3-methoxycyclobutyl)-1-(3-methylbut-2-enyl)piperidin-4-amine

N-(3-methoxycyclobutyl)-1-(3-methylbut-2-enyl)piperidin-4-amine (PubChem CID 104584639) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-(3-methoxycyclobutyl)-1-(3-methylbut-2-enyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(3-methoxycyclobutyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
PubChem CID104584639
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-(3-methoxycyclobutyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCOC1CC(NC2CCN(CC=C(C)C)CC2)C1
InChIInChI=1S/C15H28N2O/c1-12(2)4-7-17-8-5-13(6-9-17)16-14-10-15(11-14)18-3/h4,13-16H,5-11H2,1-3H3
InChIKeyFKGNVRZGWNENEU-UHFFFAOYSA-N
XLogP2.18
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-methoxycyclobutyl)-1-(3-methylbut-2-enyl)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

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxycyclobutyl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
The IUPAC name of N-(3-methoxycyclobutyl)-1-(3-methylbut-2-enyl)piperidin-4-amine (CID 104584639) is N-(3-methoxycyclobutyl)-1-(3-methylbut-2-enyl)piperidin-4-amine.
What is the SMILES notation for N-(3-methoxycyclobutyl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
The canonical SMILES for N-(3-methoxycyclobutyl)-1-(3-methylbut-2-enyl)piperidin-4-amine is COC1CC(NC2CCN(CC=C(C)C)CC2)C1.
What is the InChIKey of N-(3-methoxycyclobutyl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
The InChIKey is FKGNVRZGWNENEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-12(2)4-7-17-8-5-13(6-9-17)16-14-10-15(11-14)18-3/h4,13-16H,5-11H2,1-3H3.
What are the key properties of N-(3-methoxycyclobutyl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
N-(3-methoxycyclobutyl)-1-(3-methylbut-2-enyl)piperidin-4-amine has a molecular weight of 252.40 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxycyclobutyl)-1-(3-methylbut-2-enyl)piperidin-4-amine is sourced from PubChem (CID 104584639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).