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

C17H32N2O — CID 63740628

IUPACN-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]cyclopropanamine
SMILESCC1CC(C)CN(CC2(CNC3CC3)CCCOC2)C1
InChIInChI=1S/C17H32N2O/c1-14-8-15(2)10-19(9-14)12-17(6-3-7-20-13-17)11-18-16-4-5-16/h14-16,18H,3-13H2,1-2H3
InChIKeyVHKRTRQADYYQHC-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.51
Rot. Bonds5

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

N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]cyclopropanamine (PubChem CID 63740628) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]cyclopropanamine
PubChem CID63740628
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC NameN-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]cyclopropanamine
SMILESCC1CC(C)CN(CC2(CNC3CC3)CCCOC2)C1
InChIInChI=1S/C17H32N2O/c1-14-8-15(2)10-19(9-14)12-17(6-3-7-20-13-17)11-18-16-4-5-16/h14-16,18H,3-13H2,1-2H3
InChIKeyVHKRTRQADYYQHC-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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Related Compounds

N-[[3-[(3,4-dimethylpyrrolidin-1-yl)methyl]oxan-3-yl]methyl]cyclopropanamine
CID 79184590
1-[[3-[(cyclopropylamino)methyl]oxan-3-yl]methyl]pyrrolidine-3,4-diol
CID 106674069
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62392837
N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxan-3-yl]methyl]cyclopropanamine
CID 63740707
N-methyl-1-[3-[(3-methylpyrrolidin-1-yl)methyl]oxan-3-yl]methanamine
CID 63740313
N-[[3-[(3-methylmorpholin-4-yl)methyl]oxan-3-yl]methyl]cyclopropanamine
CID 63741363
N-[[3-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 62974429
1-[3-[(2,6-dimethylmorpholin-4-yl)methyl]oxan-3-yl]-N-methylmethanamine
CID 63740106
N-[[3-[(3-ethylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 62256133
N-[[3-(8-azaspiro[4.5]decan-8-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 63159777
N-[[3-[(2,4-dimethylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 55061618
N-[[3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]oxan-3-yl]methyl]ethanamine
CID 104960751

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]cyclopropanamine (CID 63740628) is N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]cyclopropanamine is CC1CC(C)CN(CC2(CNC3CC3)CCCOC2)C1.
What is the InChIKey of N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]cyclopropanamine?
The InChIKey is VHKRTRQADYYQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-14-8-15(2)10-19(9-14)12-17(6-3-7-20-13-17)11-18-16-4-5-16/h14-16,18H,3-13H2,1-2H3.
What are the key properties of N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]cyclopropanamine?
N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]oxan-3-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-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 63740628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).