N-[(3-methoxyoxolan-3-yl)methyl]-1-(3-methylbut-2-enyl)piperidin-4-amine

C16H30N2O2 — CID 104705969

IUPACN-[(3-methoxyoxolan-3-yl)methyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCOC1(CNC2CCN(CC=C(C)C)CC2)CCOC1
InChIInChI=1S/C16H30N2O2/c1-14(2)4-8-18-9-5-15(6-10-18)17-12-16(19-3)7-11-20-13-16/h4,15,17H,5-13H2,1-3H3
InChIKeySJOWMHZFIMJIEW-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.81
Rot. Bonds6

About N-[(3-methoxyoxolan-3-yl)methyl]-1-(3-methylbut-2-enyl)piperidin-4-amine

N-[(3-methoxyoxolan-3-yl)methyl]-1-(3-methylbut-2-enyl)piperidin-4-amine (PubChem CID 104705969) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]-1-(3-methylbut-2-enyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
PubChem CID104705969
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCOC1(CNC2CCN(CC=C(C)C)CC2)CCOC1
InChIInChI=1S/C16H30N2O2/c1-14(2)4-8-18-9-5-15(6-10-18)17-12-16(19-3)7-11-20-13-16/h4,15,17H,5-13H2,1-3H3
InChIKeySJOWMHZFIMJIEW-UHFFFAOYSA-N
XLogP1.81
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-1-(3-methylbut-2-enyl)piperidin-4-amine?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-1-(3-methylbut-2-enyl)piperidin-4-amine (CID 104705969) is N-[(3-methoxyoxolan-3-yl)methyl]-1-(3-methylbut-2-enyl)piperidin-4-amine.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]-1-(3-methylbut-2-enyl)piperidin-4-amine?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]-1-(3-methylbut-2-enyl)piperidin-4-amine is COC1(CNC2CCN(CC=C(C)C)CC2)CCOC1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]-1-(3-methylbut-2-enyl)piperidin-4-amine?
The InChIKey is SJOWMHZFIMJIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-14(2)4-8-18-9-5-15(6-10-18)17-12-16(19-3)7-11-20-13-16/h4,15,17H,5-13H2,1-3H3.
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]-1-(3-methylbut-2-enyl)piperidin-4-amine?
N-[(3-methoxyoxolan-3-yl)methyl]-1-(3-methylbut-2-enyl)piperidin-4-amine has a molecular weight of 282.43 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyoxolan-3-yl)methyl]-1-(3-methylbut-2-enyl)piperidin-4-amine is sourced from PubChem (CID 104705969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).