4-methyl-N-(oxan-4-ylmethyl)oxan-4-amine

C12H23NO2 — CID 115758099

IUPAC4-methyl-N-(oxan-4-ylmethyl)oxan-4-amine
SMILESCC1(NCC2CCOCC2)CCOCC1
InChIInChI=1S/C12H23NO2/c1-12(4-8-15-9-5-12)13-10-11-2-6-14-7-3-11/h11,13H,2-10H2,1H3
InChIKeyIVVIKMLKARAFQD-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.57
Rot. Bonds3

About 4-methyl-N-(oxan-4-ylmethyl)oxan-4-amine

4-methyl-N-(oxan-4-ylmethyl)oxan-4-amine (PubChem CID 115758099) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-methyl-N-(oxan-4-ylmethyl)oxan-4-amine.

Molecular Properties

Compound Name4-methyl-N-(oxan-4-ylmethyl)oxan-4-amine
PubChem CID115758099
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name4-methyl-N-(oxan-4-ylmethyl)oxan-4-amine
SMILESCC1(NCC2CCOCC2)CCOCC1
InChIInChI=1S/C12H23NO2/c1-12(4-8-15-9-5-12)13-10-11-2-6-14-7-3-11/h11,13H,2-10H2,1H3
InChIKeyIVVIKMLKARAFQD-UHFFFAOYSA-N
XLogP1.57
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-N-(oxan-4-ylmethyl)oxan-4-amine 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 4-methyl-N-(oxan-4-ylmethyl)oxan-4-amine?
The IUPAC name of 4-methyl-N-(oxan-4-ylmethyl)oxan-4-amine (CID 115758099) is 4-methyl-N-(oxan-4-ylmethyl)oxan-4-amine.
What is the SMILES notation for 4-methyl-N-(oxan-4-ylmethyl)oxan-4-amine?
The canonical SMILES for 4-methyl-N-(oxan-4-ylmethyl)oxan-4-amine is CC1(NCC2CCOCC2)CCOCC1.
What is the InChIKey of 4-methyl-N-(oxan-4-ylmethyl)oxan-4-amine?
The InChIKey is IVVIKMLKARAFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-12(4-8-15-9-5-12)13-10-11-2-6-14-7-3-11/h11,13H,2-10H2,1H3.
What are the key properties of 4-methyl-N-(oxan-4-ylmethyl)oxan-4-amine?
4-methyl-N-(oxan-4-ylmethyl)oxan-4-amine has a molecular weight of 213.32 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(oxan-4-ylmethyl)oxan-4-amine is sourced from PubChem (CID 115758099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).