N-[(5,5-dimethyloxolan-2-yl)methyl]-N-ethylpiperidin-3-amine

C14H28N2O — CID 116522873

IUPACN-[(5,5-dimethyloxolan-2-yl)methyl]-N-ethylpiperidin-3-amine
SMILESCCN(CC1CCC(C)(C)O1)C1CCCNC1
InChIInChI=1S/C14H28N2O/c1-4-16(12-6-5-9-15-10-12)11-13-7-8-14(2,3)17-13/h12-13,15H,4-11H2,1-3H3
InChIKeyFMJFYEVTLQEQEB-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.02
Rot. Bonds4

About N-[(5,5-dimethyloxolan-2-yl)methyl]-N-ethylpiperidin-3-amine

N-[(5,5-dimethyloxolan-2-yl)methyl]-N-ethylpiperidin-3-amine (PubChem CID 116522873) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-[(5,5-dimethyloxolan-2-yl)methyl]-N-ethylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(5,5-dimethyloxolan-2-yl)methyl]-N-ethylpiperidin-3-amine
PubChem CID116522873
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-[(5,5-dimethyloxolan-2-yl)methyl]-N-ethylpiperidin-3-amine
SMILESCCN(CC1CCC(C)(C)O1)C1CCCNC1
InChIInChI=1S/C14H28N2O/c1-4-16(12-6-5-9-15-10-12)11-13-7-8-14(2,3)17-13/h12-13,15H,4-11H2,1-3H3
InChIKeyFMJFYEVTLQEQEB-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5,5-dimethyloxolan-2-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106640288
N-ethyl-N-(oxolan-2-ylmethyl)piperidin-3-amine
CID 61434221
N-[(5,5-dimethyloxolan-2-yl)methyl]-N-propylazetidin-3-amine
CID 116522896
N-[(5,5-dimethyloxolan-2-yl)methyl]-N-propylpiperidin-4-amine
CID 116522849
N-ethyl-N-propylpiperidin-3-amine
CID 43317075
N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylpyrrolidin-3-amine
CID 102899394
N-[(5,5-dimethyloxolan-2-yl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 116522907
N-but-2-enyl-N-ethylpiperidin-3-amine
CID 77002860
4-[ethyl(piperidin-3-yl)amino]-2-methylbutan-2-ol
CID 79354875
N-[(4-tert-butylcyclohexyl)methyl]-N-ethylpiperidin-3-amine
CID 104575642
N-but-2-ynyl-N-ethylpiperidin-3-amine
CID 63636615
N-ethyl-N-(3-methoxy-3-methylbutyl)piperidin-3-amine
CID 103034843

Frequently Asked Questions

What is the IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]-N-ethylpiperidin-3-amine?
The IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]-N-ethylpiperidin-3-amine (CID 116522873) is N-[(5,5-dimethyloxolan-2-yl)methyl]-N-ethylpiperidin-3-amine.
What is the SMILES notation for N-[(5,5-dimethyloxolan-2-yl)methyl]-N-ethylpiperidin-3-amine?
The canonical SMILES for N-[(5,5-dimethyloxolan-2-yl)methyl]-N-ethylpiperidin-3-amine is CCN(CC1CCC(C)(C)O1)C1CCCNC1.
What is the InChIKey of N-[(5,5-dimethyloxolan-2-yl)methyl]-N-ethylpiperidin-3-amine?
The InChIKey is FMJFYEVTLQEQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-16(12-6-5-9-15-10-12)11-13-7-8-14(2,3)17-13/h12-13,15H,4-11H2,1-3H3.
What are the key properties of N-[(5,5-dimethyloxolan-2-yl)methyl]-N-ethylpiperidin-3-amine?
N-[(5,5-dimethyloxolan-2-yl)methyl]-N-ethylpiperidin-3-amine has a molecular weight of 240.39 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,5-dimethyloxolan-2-yl)methyl]-N-ethylpiperidin-3-amine is sourced from PubChem (CID 116522873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).