2,2-dimethyl-5-(oxan-4-ylmethylamino)pentan-1-ol

C13H27NO2 — CID 115685739

IUPAC2,2-dimethyl-5-(oxan-4-ylmethylamino)pentan-1-ol
SMILESCC(C)(CO)CCCNCC1CCOCC1
InChIInChI=1S/C13H27NO2/c1-13(2,11-15)6-3-7-14-10-12-4-8-16-9-5-12/h12,14-15H,3-11H2,1-2H3
InChIKeyHQJHNXYBEUGABQ-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.80
Rot. Bonds7

About 2,2-dimethyl-5-(oxan-4-ylmethylamino)pentan-1-ol

2,2-dimethyl-5-(oxan-4-ylmethylamino)pentan-1-ol (PubChem CID 115685739) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2,2-dimethyl-5-(oxan-4-ylmethylamino)pentan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-5-(oxan-4-ylmethylamino)pentan-1-ol
PubChem CID115685739
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2,2-dimethyl-5-(oxan-4-ylmethylamino)pentan-1-ol
SMILESCC(C)(CO)CCCNCC1CCOCC1
InChIInChI=1S/C13H27NO2/c1-13(2,11-15)6-3-7-14-10-12-4-8-16-9-5-12/h12,14-15H,3-11H2,1-2H3
InChIKeyHQJHNXYBEUGABQ-UHFFFAOYSA-N
XLogP1.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-5-(oxan-4-ylmethylamino)pentan-1-ol 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

2-methyl-4-(oxan-4-ylmethylamino)butan-2-ol
CID 79355568
5-(oxan-4-ylmethylamino)pentan-1-ol
CID 63711155
5-methoxy-N-(oxan-4-ylmethyl)pentan-1-amine
CID 115685550
2,2-dimethyl-5-(oxolan-3-ylmethylamino)pentanenitrile
CID 65253924
5-bromo-N-(oxan-4-ylmethyl)pentan-1-amine
CID 107320411
6-[(6-hydroxy-5,5-dimethylhexyl)amino]-2,2-dimethylhexan-1-ol
CID 11572614
3-methyl-N-(oxan-4-ylmethyl)butan-1-amine
CID 62385670
2-cyclopropyl-2-(oxan-4-ylmethylamino)propan-1-ol
CID 115685825
2-methyl-4-(oxolan-3-ylmethylamino)butan-2-ol
CID 79360440
3-(4-methylpiperidin-1-yl)-N-(oxan-4-ylmethyl)propan-1-amine
CID 62386835
3-methoxy-N-(oxolan-3-ylmethyl)propan-1-amine
CID 43205123
N'-cyclohexyl-N'-methyl-N-(oxan-4-ylmethyl)propane-1,3-diamine
CID 55066114

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(oxan-4-ylmethylamino)pentan-1-ol?
The IUPAC name of 2,2-dimethyl-5-(oxan-4-ylmethylamino)pentan-1-ol (CID 115685739) is 2,2-dimethyl-5-(oxan-4-ylmethylamino)pentan-1-ol.
What is the SMILES notation for 2,2-dimethyl-5-(oxan-4-ylmethylamino)pentan-1-ol?
The canonical SMILES for 2,2-dimethyl-5-(oxan-4-ylmethylamino)pentan-1-ol is CC(C)(CO)CCCNCC1CCOCC1.
What is the InChIKey of 2,2-dimethyl-5-(oxan-4-ylmethylamino)pentan-1-ol?
The InChIKey is HQJHNXYBEUGABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-13(2,11-15)6-3-7-14-10-12-4-8-16-9-5-12/h12,14-15H,3-11H2,1-2H3.
What are the key properties of 2,2-dimethyl-5-(oxan-4-ylmethylamino)pentan-1-ol?
2,2-dimethyl-5-(oxan-4-ylmethylamino)pentan-1-ol has a molecular weight of 229.36 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(oxan-4-ylmethylamino)pentan-1-ol is sourced from PubChem (CID 115685739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).