N-cyclopropyl-1-(2,2-diethyloxan-4-yl)piperidin-3-amine

C17H32N2O — CID 83039229

IUPACN-cyclopropyl-1-(2,2-diethyloxan-4-yl)piperidin-3-amine
SMILESCCC1(CC)CC(N2CCCC(NC3CC3)C2)CCO1
InChIInChI=1S/C17H32N2O/c1-3-17(4-2)12-16(9-11-20-17)19-10-5-6-15(13-19)18-14-7-8-14/h14-16,18H,3-13H2,1-2H3
InChIKeyXMDWSLCPUMWBBM-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.94
Rot. Bonds5

About N-cyclopropyl-1-(2,2-diethyloxan-4-yl)piperidin-3-amine

N-cyclopropyl-1-(2,2-diethyloxan-4-yl)piperidin-3-amine (PubChem CID 83039229) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is N-cyclopropyl-1-(2,2-diethyloxan-4-yl)piperidin-3-amine.

Molecular Properties

Compound NameN-cyclopropyl-1-(2,2-diethyloxan-4-yl)piperidin-3-amine
PubChem CID83039229
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC NameN-cyclopropyl-1-(2,2-diethyloxan-4-yl)piperidin-3-amine
SMILESCCC1(CC)CC(N2CCCC(NC3CC3)C2)CCO1
InChIInChI=1S/C17H32N2O/c1-3-17(4-2)12-16(9-11-20-17)19-10-5-6-15(13-19)18-14-7-8-14/h14-16,18H,3-13H2,1-2H3
InChIKeyXMDWSLCPUMWBBM-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,2-diethyloxan-4-yl)pyrrolidin-3-yl]methanol
CID 83040396
N-(2,2-diethyloxan-4-yl)-1-(2-methylpropyl)piperidin-4-amine
CID 103914620
1-(2,2-diethyloxan-4-yl)-3,3-dimethyl-1,4-diazepane
CID 83039236
1-(2,2-diethyloxan-4-yl)-3-ethyl-3-methyl-1,4-diazepane
CID 83039643
N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-amine
CID 79900305
N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-amine
CID 79900304
N,1-dicyclohexylpiperidin-3-amine
CID 83999394
2,2-diethyl-N-(3-ethylcyclohexyl)oxan-4-amine
CID 82760225
1-(2,2-diethyloxan-4-yl)-6-(trifluoromethyl)-1,4-diazepane
CID 103372116
N-(3,5-dimethylcyclohexyl)-2,2-diethyloxan-4-amine
CID 82759904
N-cyclopropyl-1-(2,2-diethyloxan-4-yl)imidazol-2-amine
CID 106578838
2,2-diethyl-N-(2-ethylcyclopentyl)oxan-4-amine
CID 115897076

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(2,2-diethyloxan-4-yl)piperidin-3-amine?
The IUPAC name of N-cyclopropyl-1-(2,2-diethyloxan-4-yl)piperidin-3-amine (CID 83039229) is N-cyclopropyl-1-(2,2-diethyloxan-4-yl)piperidin-3-amine.
What is the SMILES notation for N-cyclopropyl-1-(2,2-diethyloxan-4-yl)piperidin-3-amine?
The canonical SMILES for N-cyclopropyl-1-(2,2-diethyloxan-4-yl)piperidin-3-amine is CCC1(CC)CC(N2CCCC(NC3CC3)C2)CCO1.
What is the InChIKey of N-cyclopropyl-1-(2,2-diethyloxan-4-yl)piperidin-3-amine?
The InChIKey is XMDWSLCPUMWBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-3-17(4-2)12-16(9-11-20-17)19-10-5-6-15(13-19)18-14-7-8-14/h14-16,18H,3-13H2,1-2H3.
What are the key properties of N-cyclopropyl-1-(2,2-diethyloxan-4-yl)piperidin-3-amine?
N-cyclopropyl-1-(2,2-diethyloxan-4-yl)piperidin-3-amine has a molecular weight of 280.46 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(2,2-diethyloxan-4-yl)piperidin-3-amine is sourced from PubChem (CID 83039229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).