N-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]oxan-3-yl]methyl]propan-1-amine

C17H34N2O2 — CID 63973563

IUPACN-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]oxan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(CN2CCC(COC)CC2)CCCOC1
InChIInChI=1S/C17H34N2O2/c1-3-8-18-13-17(7-4-11-21-15-17)14-19-9-5-16(6-10-19)12-20-2/h16,18H,3-15H2,1-2H3
InChIKeyOCOBNHMDBDMWKY-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.14
Rot. Bonds8

About N-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]oxan-3-yl]methyl]propan-1-amine

N-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]oxan-3-yl]methyl]propan-1-amine (PubChem CID 63973563) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is N-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]oxan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]oxan-3-yl]methyl]propan-1-amine
PubChem CID63973563
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC NameN-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]oxan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(CN2CCC(COC)CC2)CCCOC1
InChIInChI=1S/C17H34N2O2/c1-3-8-18-13-17(7-4-11-21-15-17)14-19-9-5-16(6-10-19)12-20-2/h16,18H,3-15H2,1-2H3
InChIKeyOCOBNHMDBDMWKY-UHFFFAOYSA-N
XLogP2.14
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]oxan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]oxan-3-yl]methyl]propan-1-amine (CID 63973563) is N-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]oxan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]oxan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]oxan-3-yl]methyl]propan-1-amine is CCCNCC1(CN2CCC(COC)CC2)CCCOC1.
What is the InChIKey of N-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]oxan-3-yl]methyl]propan-1-amine?
The InChIKey is OCOBNHMDBDMWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-3-8-18-13-17(7-4-11-21-15-17)14-19-9-5-16(6-10-19)12-20-2/h16,18H,3-15H2,1-2H3.
What are the key properties of N-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]oxan-3-yl]methyl]propan-1-amine?
N-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]oxan-3-yl]methyl]propan-1-amine has a molecular weight of 298.47 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]oxan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 63973563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).