4-[[5-aminopentyl(methyl)amino]methyl]oxan-4-ol

C12H26N2O2 — CID 114948569

IUPAC4-[[5-aminopentyl(methyl)amino]methyl]oxan-4-ol
SMILESCN(CCCCCN)CC1(O)CCOCC1
InChIInChI=1S/C12H26N2O2/c1-14(8-4-2-3-7-13)11-12(15)5-9-16-10-6-12/h15H,2-11,13H2,1H3
InChIKeyKIYZOLRWAUUMTM-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.59
Rot. Bonds7

About 4-[[5-aminopentyl(methyl)amino]methyl]oxan-4-ol

4-[[5-aminopentyl(methyl)amino]methyl]oxan-4-ol (PubChem CID 114948569) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 4-[[5-aminopentyl(methyl)amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[5-aminopentyl(methyl)amino]methyl]oxan-4-ol
PubChem CID114948569
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name4-[[5-aminopentyl(methyl)amino]methyl]oxan-4-ol
SMILESCN(CCCCCN)CC1(O)CCOCC1
InChIInChI=1S/C12H26N2O2/c1-14(8-4-2-3-7-13)11-12(15)5-9-16-10-6-12/h15H,2-11,13H2,1H3
InChIKeyKIYZOLRWAUUMTM-UHFFFAOYSA-N
XLogP0.59
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[[5-aminopentyl(methyl)amino]methyl]oxan-4-ol 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-[[5-aminopentyl(methyl)amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[5-aminopentyl(methyl)amino]methyl]oxan-4-ol (CID 114948569) is 4-[[5-aminopentyl(methyl)amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[5-aminopentyl(methyl)amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[5-aminopentyl(methyl)amino]methyl]oxan-4-ol is CN(CCCCCN)CC1(O)CCOCC1.
What is the InChIKey of 4-[[5-aminopentyl(methyl)amino]methyl]oxan-4-ol?
The InChIKey is KIYZOLRWAUUMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-14(8-4-2-3-7-13)11-12(15)5-9-16-10-6-12/h15H,2-11,13H2,1H3.
What are the key properties of 4-[[5-aminopentyl(methyl)amino]methyl]oxan-4-ol?
4-[[5-aminopentyl(methyl)amino]methyl]oxan-4-ol has a molecular weight of 230.35 g/mol, XLogP of 0.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-aminopentyl(methyl)amino]methyl]oxan-4-ol is sourced from PubChem (CID 114948569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).