N-methyl-1-(2-pentan-2-yloxolan-3-yl)methanamine

C11H23NO — CID 79368413

IUPACN-methyl-1-(2-pentan-2-yloxolan-3-yl)methanamine
SMILESCCCC(C)C1OCCC1CNC
InChIInChI=1S/C11H23NO/c1-4-5-9(2)11-10(8-12-3)6-7-13-11/h9-12H,4-8H2,1-3H3
InChIKeyHWBSLJBUCMJQBO-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.05
Rot. Bonds5

About N-methyl-1-(2-pentan-2-yloxolan-3-yl)methanamine

N-methyl-1-(2-pentan-2-yloxolan-3-yl)methanamine (PubChem CID 79368413) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-methyl-1-(2-pentan-2-yloxolan-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-pentan-2-yloxolan-3-yl)methanamine
PubChem CID79368413
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-methyl-1-(2-pentan-2-yloxolan-3-yl)methanamine
SMILESCCCC(C)C1OCCC1CNC
InChIInChI=1S/C11H23NO/c1-4-5-9(2)11-10(8-12-3)6-7-13-11/h9-12H,4-8H2,1-3H3
InChIKeyHWBSLJBUCMJQBO-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-pentan-2-yloxolan-3-yl)methanamine?
The IUPAC name of N-methyl-1-(2-pentan-2-yloxolan-3-yl)methanamine (CID 79368413) is N-methyl-1-(2-pentan-2-yloxolan-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(2-pentan-2-yloxolan-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(2-pentan-2-yloxolan-3-yl)methanamine is CCCC(C)C1OCCC1CNC.
What is the InChIKey of N-methyl-1-(2-pentan-2-yloxolan-3-yl)methanamine?
The InChIKey is HWBSLJBUCMJQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-5-9(2)11-10(8-12-3)6-7-13-11/h9-12H,4-8H2,1-3H3.
What are the key properties of N-methyl-1-(2-pentan-2-yloxolan-3-yl)methanamine?
N-methyl-1-(2-pentan-2-yloxolan-3-yl)methanamine has a molecular weight of 185.31 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-pentan-2-yloxolan-3-yl)methanamine is sourced from PubChem (CID 79368413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).