N-[[5-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine

C16H32N2O2 — CID 106589331

IUPACN-[[5-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCC(CN2CCCC(COC)C2)O1
InChIInChI=1S/C16H32N2O2/c1-3-8-17-10-15-6-7-16(20-15)12-18-9-4-5-14(11-18)13-19-2/h14-17H,3-13H2,1-2H3
InChIKeyQFXUAOCIRCNZDW-UHFFFAOYSA-N
MW284.44 g/mol
LogP1.89
Rot. Bonds8

About N-[[5-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine

N-[[5-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine (PubChem CID 106589331) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is N-[[5-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine
PubChem CID106589331
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC NameN-[[5-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCC(CN2CCCC(COC)C2)O1
InChIInChI=1S/C16H32N2O2/c1-3-8-17-10-15-6-7-16(20-15)12-18-9-4-5-14(11-18)13-19-2/h14-17H,3-13H2,1-2H3
InChIKeyQFXUAOCIRCNZDW-UHFFFAOYSA-N
XLogP1.89
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[5-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxolan-2-yl]methyl]propan-1-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-[[5-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 106589270
2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-propylprop-2-en-1-amine
CID 106588399
N-[[5-[(2,6-dimethylmorpholin-4-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
CID 55070310
N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]propan-1-amine
CID 62581675
N-[[5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
CID 63620317
2-ethyl-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-propylbutan-1-amine
CID 106588987
N-[[5-[(4-propan-2-ylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62432885
N-[[5-[(2-ethylpyrrolidin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62439517
N-[[1-[(4-ethylmorpholin-2-yl)methyl]piperidin-3-yl]methyl]-2-methoxyethanamine
CID 79174620
N-[[1-(cyclopropylmethyl)piperidin-3-yl]methyl]-2-methoxyethanamine
CID 62591849
1-[3-(methoxymethyl)piperidin-1-yl]-N-propylpentan-2-amine
CID 106586522
N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)oxolan-2-yl]methyl]propan-1-amine
CID 62426894

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine (CID 106589331) is N-[[5-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine is CCCNCC1CCC(CN2CCCC(COC)C2)O1.
What is the InChIKey of N-[[5-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine?
The InChIKey is QFXUAOCIRCNZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-3-8-17-10-15-6-7-16(20-15)12-18-9-4-5-14(11-18)13-19-2/h14-17H,3-13H2,1-2H3.
What are the key properties of N-[[5-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine?
N-[[5-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine has a molecular weight of 284.44 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 106589331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).