N-[[3-[(2,4-dimethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine

C18H36N2O — CID 63741247

IUPACN-[[3-[(2,4-dimethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC1CCN(CC2(CNC(C)(C)C)CCCOC2)C(C)C1
InChIInChI=1S/C18H36N2O/c1-15-7-9-20(16(2)11-15)13-18(8-6-10-21-14-18)12-19-17(3,4)5/h15-16,19H,6-14H2,1-5H3
InChIKeyZHYHPTMMHMOQRU-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.29
Rot. Bonds4

About N-[[3-[(2,4-dimethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine

N-[[3-[(2,4-dimethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 63741247) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is N-[[3-[(2,4-dimethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-[(2,4-dimethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID63741247
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC NameN-[[3-[(2,4-dimethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC1CCN(CC2(CNC(C)(C)C)CCCOC2)C(C)C1
InChIInChI=1S/C18H36N2O/c1-15-7-9-20(16(2)11-15)13-18(8-6-10-21-14-18)12-19-17(3,4)5/h15-16,19H,6-14H2,1-5H3
InChIKeyZHYHPTMMHMOQRU-UHFFFAOYSA-N
XLogP3.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-[(2,4-dimethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-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-[[3-[(2,4-dimethylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 55061618
N-[[3-[(2-ethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine
CID 63739412
[1-[[3-[(tert-butylamino)methyl]oxan-3-yl]methyl]piperidin-2-yl]methanol
CID 63740868
N-[[3-[(4-methoxypiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine
CID 63741713
N-[[3-[(3-methylmorpholin-4-yl)methyl]oxan-3-yl]methyl]cyclopropanamine
CID 63741363
N-[[3-[(2-ethylpyrrolidin-1-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 62278171
N-[[3-[(3-methylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-2-amine
CID 55243400
[4-[(2,4-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methanol
CID 55067010
N-[[3-[(2-methylpiperidin-1-yl)methyl]oxan-3-yl]methyl]propan-1-amine
CID 63741518
2-methyl-N-[[3-[(2-methylpyrrolidin-1-yl)methyl]oxan-3-yl]methyl]propan-1-amine
CID 63740980
N-methyl-1-[3-[(3-methylpyrrolidin-1-yl)methyl]oxan-3-yl]methanamine
CID 63740313
N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 63635812

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2,4-dimethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-[(2,4-dimethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine (CID 63741247) is N-[[3-[(2,4-dimethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-[(2,4-dimethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-[(2,4-dimethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine is CC1CCN(CC2(CNC(C)(C)C)CCCOC2)C(C)C1.
What is the InChIKey of N-[[3-[(2,4-dimethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is ZHYHPTMMHMOQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-15-7-9-20(16(2)11-15)13-18(8-6-10-21-14-18)12-19-17(3,4)5/h15-16,19H,6-14H2,1-5H3.
What are the key properties of N-[[3-[(2,4-dimethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine?
N-[[3-[(2,4-dimethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 296.50 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2,4-dimethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63741247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).