4-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)oxan-4-amine

C12H24N2O2 — CID 61431749

IUPAC4-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)oxan-4-amine
SMILESCN(CC1CCCO1)C1(CN)CCOCC1
InChIInChI=1S/C12H24N2O2/c1-14(9-11-3-2-6-16-11)12(10-13)4-7-15-8-5-12/h11H,2-10,13H2,1H3
InChIKeyZVPQSGZSZOVDSG-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.61
Rot. Bonds4

About 4-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)oxan-4-amine

4-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)oxan-4-amine (PubChem CID 61431749) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)oxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)oxan-4-amine
PubChem CID61431749
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name4-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)oxan-4-amine
SMILESCN(CC1CCCO1)C1(CN)CCOCC1
InChIInChI=1S/C12H24N2O2/c1-14(9-11-3-2-6-16-11)12(10-13)4-7-15-8-5-12/h11H,2-10,13H2,1H3
InChIKeyZVPQSGZSZOVDSG-UHFFFAOYSA-N
XLogP0.61
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(aminomethyl)-N-methyl-N-(oxolan-2-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-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)oxan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)oxan-4-amine (CID 61431749) is 4-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)oxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)oxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)oxan-4-amine is CN(CC1CCCO1)C1(CN)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)oxan-4-amine?
The InChIKey is ZVPQSGZSZOVDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-14(9-11-3-2-6-16-11)12(10-13)4-7-15-8-5-12/h11H,2-10,13H2,1H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)oxan-4-amine?
4-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)oxan-4-amine has a molecular weight of 228.34 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)oxan-4-amine is sourced from PubChem (CID 61431749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).