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

C18H36N2O — CID 103914620

IUPACN-(2,2-diethyloxan-4-yl)-1-(2-methylpropyl)piperidin-4-amine
SMILESCCC1(CC)CC(NC2CCN(CC(C)C)CC2)CCO1
InChIInChI=1S/C18H36N2O/c1-5-18(6-2)13-17(9-12-21-18)19-16-7-10-20(11-8-16)14-15(3)4/h15-17,19H,5-14H2,1-4H3
InChIKeyZGDQTLGJRBWRNN-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.43
Rot. Bonds6

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

N-(2,2-diethyloxan-4-yl)-1-(2-methylpropyl)piperidin-4-amine (PubChem CID 103914620) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is N-(2,2-diethyloxan-4-yl)-1-(2-methylpropyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(2,2-diethyloxan-4-yl)-1-(2-methylpropyl)piperidin-4-amine
PubChem CID103914620
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC NameN-(2,2-diethyloxan-4-yl)-1-(2-methylpropyl)piperidin-4-amine
SMILESCCC1(CC)CC(NC2CCN(CC(C)C)CC2)CCO1
InChIInChI=1S/C18H36N2O/c1-5-18(6-2)13-17(9-12-21-18)19-16-7-10-20(11-8-16)14-15(3)4/h15-17,19H,5-14H2,1-4H3
InChIKeyZGDQTLGJRBWRNN-UHFFFAOYSA-N
XLogP3.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2,2-diethyloxan-4-amine
CID 83033470
N-(3,5-dimethylcyclohexyl)-2,2-diethyloxan-4-amine
CID 82759904
N-cyclopropyl-1-(2,2-diethyloxan-4-yl)piperidin-3-amine
CID 83039229
3-[(2,2-diethyloxan-4-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 83036032
N-cyclopent-3-en-1-yl-1-(2-methylpropyl)piperidin-4-amine
CID 115728351
N-(1-cyclohexylethyl)-2,2-diethyloxan-4-amine
CID 83032971
2,2-diethyl-N-(3-ethylcyclohexyl)oxan-4-amine
CID 82760225
N-(1-cyclopropylpropan-2-yl)-2,2-diethyloxan-4-amine
CID 115897078
2-[(2,2-diethyloxan-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 83033520
2,2-diethyl-N-(3-phenylcyclobutyl)oxan-4-amine
CID 83035842
2,2-diethyl-N-(2-ethylcyclopentyl)oxan-4-amine
CID 115897076
N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 71193586

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethyloxan-4-yl)-1-(2-methylpropyl)piperidin-4-amine?
The IUPAC name of N-(2,2-diethyloxan-4-yl)-1-(2-methylpropyl)piperidin-4-amine (CID 103914620) is N-(2,2-diethyloxan-4-yl)-1-(2-methylpropyl)piperidin-4-amine.
What is the SMILES notation for N-(2,2-diethyloxan-4-yl)-1-(2-methylpropyl)piperidin-4-amine?
The canonical SMILES for N-(2,2-diethyloxan-4-yl)-1-(2-methylpropyl)piperidin-4-amine is CCC1(CC)CC(NC2CCN(CC(C)C)CC2)CCO1.
What is the InChIKey of N-(2,2-diethyloxan-4-yl)-1-(2-methylpropyl)piperidin-4-amine?
The InChIKey is ZGDQTLGJRBWRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-5-18(6-2)13-17(9-12-21-18)19-16-7-10-20(11-8-16)14-15(3)4/h15-17,19H,5-14H2,1-4H3.
What are the key properties of N-(2,2-diethyloxan-4-yl)-1-(2-methylpropyl)piperidin-4-amine?
N-(2,2-diethyloxan-4-yl)-1-(2-methylpropyl)piperidin-4-amine has a molecular weight of 296.50 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethyloxan-4-yl)-1-(2-methylpropyl)piperidin-4-amine is sourced from PubChem (CID 103914620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).