N-(1,3-dioxan-4-ylmethyl)morpholin-4-amine

C9H18N2O3 — CID 83021480

IUPACN-(1,3-dioxan-4-ylmethyl)morpholin-4-amine
SMILESC1CN(NCC2CCOCO2)CCO1
InChIInChI=1S/C9H18N2O3/c1-4-13-8-14-9(1)7-10-11-2-5-12-6-3-11/h9-10H,1-8H2
InChIKeyXKGZRTXGZXAGCU-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.41
Rot. Bonds3

About N-(1,3-dioxan-4-ylmethyl)morpholin-4-amine

N-(1,3-dioxan-4-ylmethyl)morpholin-4-amine (PubChem CID 83021480) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is N-(1,3-dioxan-4-ylmethyl)morpholin-4-amine.

Molecular Properties

Compound NameN-(1,3-dioxan-4-ylmethyl)morpholin-4-amine
PubChem CID83021480
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC NameN-(1,3-dioxan-4-ylmethyl)morpholin-4-amine
SMILESC1CN(NCC2CCOCO2)CCO1
InChIInChI=1S/C9H18N2O3/c1-4-13-8-14-9(1)7-10-11-2-5-12-6-3-11/h9-10H,1-8H2
InChIKeyXKGZRTXGZXAGCU-UHFFFAOYSA-N
XLogP-0.41
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,3-dioxan-4-ylmethyl)morpholin-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

Related Compounds

N-(1,3-dioxan-4-ylmethyl)piperidin-1-amine
CID 83014162
2-(1,3-Dioxan-4-ylmethyl)-1,1-dimethylhydrazine
CID 83015082
N-(1,3-dioxan-4-ylmethyl)-4-methylpiperazin-1-amine
CID 83021019
N-(2,2-dimethyl-1,3-dioxan-5-yl)morpholin-4-amine
CID 106658960
[4-(1,3-Dioxan-4-ylmethyl)morpholin-2-yl]methanamine
CID 114398546
1-(1,3-Dioxan-4-ylmethyl)pyrazolidine
CID 131098021

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxan-4-ylmethyl)morpholin-4-amine?
The IUPAC name of N-(1,3-dioxan-4-ylmethyl)morpholin-4-amine (CID 83021480) is N-(1,3-dioxan-4-ylmethyl)morpholin-4-amine.
What is the SMILES notation for N-(1,3-dioxan-4-ylmethyl)morpholin-4-amine?
The canonical SMILES for N-(1,3-dioxan-4-ylmethyl)morpholin-4-amine is C1CN(NCC2CCOCO2)CCO1.
What is the InChIKey of N-(1,3-dioxan-4-ylmethyl)morpholin-4-amine?
The InChIKey is XKGZRTXGZXAGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-4-13-8-14-9(1)7-10-11-2-5-12-6-3-11/h9-10H,1-8H2.
What are the key properties of N-(1,3-dioxan-4-ylmethyl)morpholin-4-amine?
N-(1,3-dioxan-4-ylmethyl)morpholin-4-amine has a molecular weight of 202.25 g/mol, XLogP of -0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxan-4-ylmethyl)morpholin-4-amine is sourced from PubChem (CID 83021480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).