N-methyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine

C9H19NO — CID 177186940

IUPACN-methyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine
SMILESCCN(C)CC1CCC(C)O1
InChIInChI=1S/C9H19NO/c1-4-10(3)7-9-6-5-8(2)11-9/h8-9H,4-7H2,1-3H3
InChIKeyCLKYSTZIKQXSSU-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.51
Rot. Bonds3

About N-methyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine

N-methyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine (PubChem CID 177186940) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-methyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-methyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine
PubChem CID177186940
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-methyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine
SMILESCCN(C)CC1CCC(C)O1
InChIInChI=1S/C9H19NO/c1-4-10(3)7-9-6-5-8(2)11-9/h8-9H,4-7H2,1-3H3
InChIKeyCLKYSTZIKQXSSU-UHFFFAOYSA-N
XLogP1.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine?
The IUPAC name of N-methyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine (CID 177186940) is N-methyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-methyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine?
The canonical SMILES for N-methyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine is CCN(C)CC1CCC(C)O1.
What is the InChIKey of N-methyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine?
The InChIKey is CLKYSTZIKQXSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-10(3)7-9-6-5-8(2)11-9/h8-9H,4-7H2,1-3H3.
What are the key properties of N-methyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine?
N-methyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine has a molecular weight of 157.26 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine is sourced from PubChem (CID 177186940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).