N-methyl-N-[(6-methyloxan-2-yl)methyl]ethanamine

C10H21NO — CID 91361000

IUPACN-methyl-N-[(6-methyloxan-2-yl)methyl]ethanamine
SMILESCCN(C)CC1CCCC(C)O1
InChIInChI=1S/C10H21NO/c1-4-11(3)8-10-7-5-6-9(2)12-10/h9-10H,4-8H2,1-3H3
InChIKeyQKWOMPSBSNKBMZ-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.90
Rot. Bonds3

About N-methyl-N-[(6-methyloxan-2-yl)methyl]ethanamine

N-methyl-N-[(6-methyloxan-2-yl)methyl]ethanamine (PubChem CID 91361000) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-methyl-N-[(6-methyloxan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-methyl-N-[(6-methyloxan-2-yl)methyl]ethanamine
PubChem CID91361000
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-methyl-N-[(6-methyloxan-2-yl)methyl]ethanamine
SMILESCCN(C)CC1CCCC(C)O1
InChIInChI=1S/C10H21NO/c1-4-11(3)8-10-7-5-6-9(2)12-10/h9-10H,4-8H2,1-3H3
InChIKeyQKWOMPSBSNKBMZ-UHFFFAOYSA-N
XLogP1.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-methyl-N-[(6-methyloxan-2-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(6-methyloxan-2-yl)methyl]ethanamine?
The IUPAC name of N-methyl-N-[(6-methyloxan-2-yl)methyl]ethanamine (CID 91361000) is N-methyl-N-[(6-methyloxan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-methyl-N-[(6-methyloxan-2-yl)methyl]ethanamine?
The canonical SMILES for N-methyl-N-[(6-methyloxan-2-yl)methyl]ethanamine is CCN(C)CC1CCCC(C)O1.
What is the InChIKey of N-methyl-N-[(6-methyloxan-2-yl)methyl]ethanamine?
The InChIKey is QKWOMPSBSNKBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-11(3)8-10-7-5-6-9(2)12-10/h9-10H,4-8H2,1-3H3.
What are the key properties of N-methyl-N-[(6-methyloxan-2-yl)methyl]ethanamine?
N-methyl-N-[(6-methyloxan-2-yl)methyl]ethanamine has a molecular weight of 171.28 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(6-methyloxan-2-yl)methyl]ethanamine is sourced from PubChem (CID 91361000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).