4-[[3-aminopropyl(methyl)amino]methyl]oxan-4-ol

C10H22N2O2 — CID 114948582

IUPAC4-[[3-aminopropyl(methyl)amino]methyl]oxan-4-ol
SMILESCN(CCCN)CC1(O)CCOCC1
InChIInChI=1S/C10H22N2O2/c1-12(6-2-5-11)9-10(13)3-7-14-8-4-10/h13H,2-9,11H2,1H3
InChIKeyTYBJNKTWQYFAGX-UHFFFAOYSA-N
MW202.30 g/mol
LogP-0.19
Rot. Bonds5

About 4-[[3-aminopropyl(methyl)amino]methyl]oxan-4-ol

4-[[3-aminopropyl(methyl)amino]methyl]oxan-4-ol (PubChem CID 114948582) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 4-[[3-aminopropyl(methyl)amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[3-aminopropyl(methyl)amino]methyl]oxan-4-ol
PubChem CID114948582
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name4-[[3-aminopropyl(methyl)amino]methyl]oxan-4-ol
SMILESCN(CCCN)CC1(O)CCOCC1
InChIInChI=1S/C10H22N2O2/c1-12(6-2-5-11)9-10(13)3-7-14-8-4-10/h13H,2-9,11H2,1H3
InChIKeyTYBJNKTWQYFAGX-UHFFFAOYSA-N
XLogP-0.19
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-aminopropyl(methyl)amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[3-aminopropyl(methyl)amino]methyl]oxan-4-ol (CID 114948582) is 4-[[3-aminopropyl(methyl)amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[3-aminopropyl(methyl)amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[3-aminopropyl(methyl)amino]methyl]oxan-4-ol is CN(CCCN)CC1(O)CCOCC1.
What is the InChIKey of 4-[[3-aminopropyl(methyl)amino]methyl]oxan-4-ol?
The InChIKey is TYBJNKTWQYFAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-12(6-2-5-11)9-10(13)3-7-14-8-4-10/h13H,2-9,11H2,1H3.
What are the key properties of 4-[[3-aminopropyl(methyl)amino]methyl]oxan-4-ol?
4-[[3-aminopropyl(methyl)amino]methyl]oxan-4-ol has a molecular weight of 202.30 g/mol, XLogP of -0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-aminopropyl(methyl)amino]methyl]oxan-4-ol is sourced from PubChem (CID 114948582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).