N-methyl-1-[5-[(2,3,5-trimethylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine

C15H30N2O — CID 114597089

IUPACN-methyl-1-[5-[(2,3,5-trimethylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine
SMILESCNCC1CCC(CN2CC(C)CC(C)C2C)O1
InChIInChI=1S/C15H30N2O/c1-11-7-12(2)13(3)17(9-11)10-15-6-5-14(18-15)8-16-4/h11-16H,5-10H2,1-4H3
InChIKeyCYYQEBCKBPAUOI-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.12
Rot. Bonds4

About N-methyl-1-[5-[(2,3,5-trimethylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine

N-methyl-1-[5-[(2,3,5-trimethylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine (PubChem CID 114597089) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-methyl-1-[5-[(2,3,5-trimethylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-[(2,3,5-trimethylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine
PubChem CID114597089
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-methyl-1-[5-[(2,3,5-trimethylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine
SMILESCNCC1CCC(CN2CC(C)CC(C)C2C)O1
InChIInChI=1S/C15H30N2O/c1-11-7-12(2)13(3)17(9-11)10-15-6-5-14(18-15)8-16-4/h11-16H,5-10H2,1-4H3
InChIKeyCYYQEBCKBPAUOI-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[(2,3,5-trimethylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-[(2,3,5-trimethylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine (CID 114597089) is N-methyl-1-[5-[(2,3,5-trimethylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-[(2,3,5-trimethylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-[(2,3,5-trimethylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine is CNCC1CCC(CN2CC(C)CC(C)C2C)O1.
What is the InChIKey of N-methyl-1-[5-[(2,3,5-trimethylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine?
The InChIKey is CYYQEBCKBPAUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-11-7-12(2)13(3)17(9-11)10-15-6-5-14(18-15)8-16-4/h11-16H,5-10H2,1-4H3.
What are the key properties of N-methyl-1-[5-[(2,3,5-trimethylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine?
N-methyl-1-[5-[(2,3,5-trimethylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine has a molecular weight of 254.42 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-[(2,3,5-trimethylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine is sourced from PubChem (CID 114597089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).