N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine

C17H32N2O — CID 62392837

IUPACN-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine
SMILESCC1CC(C)CN(CC2(CNC3CC3)CCOCC2)C1
InChIInChI=1S/C17H32N2O/c1-14-9-15(2)11-19(10-14)13-17(5-7-20-8-6-17)12-18-16-3-4-16/h14-16,18H,3-13H2,1-2H3
InChIKeyQKRFYLZIPWMPMY-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.51
Rot. Bonds5

About N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine

N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine (PubChem CID 62392837) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine
PubChem CID62392837
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC NameN-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine
SMILESCC1CC(C)CN(CC2(CNC3CC3)CCOCC2)C1
InChIInChI=1S/C17H32N2O/c1-14-9-15(2)11-19(10-14)13-17(5-7-20-8-6-17)12-18-16-3-4-16/h14-16,18H,3-13H2,1-2H3
InChIKeyQKRFYLZIPWMPMY-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine (CID 62392837) is N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine is CC1CC(C)CN(CC2(CNC3CC3)CCOCC2)C1.
What is the InChIKey of N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine?
The InChIKey is QKRFYLZIPWMPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-14-9-15(2)11-19(10-14)13-17(5-7-20-8-6-17)12-18-16-3-4-16/h14-16,18H,3-13H2,1-2H3.
What are the key properties of N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine?
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine has a molecular weight of 280.46 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62392837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).