N-(1-methoxypropan-2-yl)-1-(2-methylprop-2-enyl)piperidin-4-amine

C13H26N2O — CID 115717923

IUPACN-(1-methoxypropan-2-yl)-1-(2-methylprop-2-enyl)piperidin-4-amine
SMILESC=C(C)CN1CCC(NC(C)COC)CC1
InChIInChI=1S/C13H26N2O/c1-11(2)9-15-7-5-13(6-8-15)14-12(3)10-16-4/h12-14H,1,5-10H2,2-4H3
InChIKeyJKHCBWXCOIUJFR-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.65
Rot. Bonds6

About N-(1-methoxypropan-2-yl)-1-(2-methylprop-2-enyl)piperidin-4-amine

N-(1-methoxypropan-2-yl)-1-(2-methylprop-2-enyl)piperidin-4-amine (PubChem CID 115717923) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-1-(2-methylprop-2-enyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-1-(2-methylprop-2-enyl)piperidin-4-amine
PubChem CID115717923
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(1-methoxypropan-2-yl)-1-(2-methylprop-2-enyl)piperidin-4-amine
SMILESC=C(C)CN1CCC(NC(C)COC)CC1
InChIInChI=1S/C13H26N2O/c1-11(2)9-15-7-5-13(6-8-15)14-12(3)10-16-4/h12-14H,1,5-10H2,2-4H3
InChIKeyJKHCBWXCOIUJFR-UHFFFAOYSA-N
XLogP1.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1-methoxypropan-2-yl)-1-(2-methylprop-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-(1-methoxypropan-2-yl)-1-(2-methylprop-2-enyl)piperidin-4-amine?
The IUPAC name of N-(1-methoxypropan-2-yl)-1-(2-methylprop-2-enyl)piperidin-4-amine (CID 115717923) is N-(1-methoxypropan-2-yl)-1-(2-methylprop-2-enyl)piperidin-4-amine.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-1-(2-methylprop-2-enyl)piperidin-4-amine?
The canonical SMILES for N-(1-methoxypropan-2-yl)-1-(2-methylprop-2-enyl)piperidin-4-amine is C=C(C)CN1CCC(NC(C)COC)CC1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-1-(2-methylprop-2-enyl)piperidin-4-amine?
The InChIKey is JKHCBWXCOIUJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11(2)9-15-7-5-13(6-8-15)14-12(3)10-16-4/h12-14H,1,5-10H2,2-4H3.
What are the key properties of N-(1-methoxypropan-2-yl)-1-(2-methylprop-2-enyl)piperidin-4-amine?
N-(1-methoxypropan-2-yl)-1-(2-methylprop-2-enyl)piperidin-4-amine has a molecular weight of 226.36 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-1-(2-methylprop-2-enyl)piperidin-4-amine is sourced from PubChem (CID 115717923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).