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

C13H26N2O2 — CID 61433664

IUPAC4-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)oxan-4-amine
SMILESCCN(CC1CCCO1)C1(CN)CCOCC1
InChIInChI=1S/C13H26N2O2/c1-2-15(10-12-4-3-7-17-12)13(11-14)5-8-16-9-6-13/h12H,2-11,14H2,1H3
InChIKeyFYHSIGUHELABRL-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.00
Rot. Bonds5

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

4-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)oxan-4-amine (PubChem CID 61433664) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 4-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)oxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)oxan-4-amine
PubChem CID61433664
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name4-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)oxan-4-amine
SMILESCCN(CC1CCCO1)C1(CN)CCOCC1
InChIInChI=1S/C13H26N2O2/c1-2-15(10-12-4-3-7-17-12)13(11-14)5-8-16-9-6-13/h12H,2-11,14H2,1H3
InChIKeyFYHSIGUHELABRL-UHFFFAOYSA-N
XLogP1.00
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(aminomethyl)-N-ethyl-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-ethyl-N-(oxolan-2-ylmethyl)oxan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)oxan-4-amine (CID 61433664) is 4-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)oxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)oxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)oxan-4-amine is CCN(CC1CCCO1)C1(CN)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)oxan-4-amine?
The InChIKey is FYHSIGUHELABRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-2-15(10-12-4-3-7-17-12)13(11-14)5-8-16-9-6-13/h12H,2-11,14H2,1H3.
What are the key properties of 4-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)oxan-4-amine?
4-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)oxan-4-amine has a molecular weight of 242.36 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)oxan-4-amine is sourced from PubChem (CID 61433664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).