diazinan-1-yl(propan-2-yloxy)methanol

C8H18N2O2 — CID 170012653

IUPACdiazinan-1-yl(propan-2-yloxy)methanol
SMILESCC(C)OC(O)N1CCCCN1
InChIInChI=1S/C8H18N2O2/c1-7(2)12-8(11)10-6-4-3-5-9-10/h7-9,11H,3-6H2,1-2H3
InChIKeyCXVDTMSOIDGOCX-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.29
Rot. Bonds3

About diazinan-1-yl(propan-2-yloxy)methanol

diazinan-1-yl(propan-2-yloxy)methanol (PubChem CID 170012653) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is diazinan-1-yl(propan-2-yloxy)methanol.

Molecular Properties

Compound Namediazinan-1-yl(propan-2-yloxy)methanol
PubChem CID170012653
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Namediazinan-1-yl(propan-2-yloxy)methanol
SMILESCC(C)OC(O)N1CCCCN1
InChIInChI=1S/C8H18N2O2/c1-7(2)12-8(11)10-6-4-3-5-9-10/h7-9,11H,3-6H2,1-2H3
InChIKeyCXVDTMSOIDGOCX-UHFFFAOYSA-N
XLogP0.29
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze diazinan-1-yl(propan-2-yloxy)methanol 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

1-(diazepan-1-yl)ethanamine
CID 173102970
propan-2-yl diazepane-1-carboxylate
CID 142097797
1-(2,2,4,4-tetramethylpentan-3-yl)pyrazolidine
CID 177092857
cyclohexane;2-propan-2-yloxypropane
CID 22558525
1-(diazinan-1-yl)-3-methylbutan-1-one
CID 126990065
diazinan-1-yl(methylarsanyl)methanone
CID 173274615
2-cyclopentyl-N-[1-(diazinan-1-yl)-1-oxopropan-2-yl]propanamide
CID 166116250
methoxy(piperazin-1-yl)methanol
CID 154545795
1-cyclohexyl-1-propan-2-yloxypropan-2-ol
CID 67782427
N-[1-(diazinan-1-yl)-3-methoxy-1-oxopropan-2-yl]-2-hydroxy-3-methylbutanamide
CID 174869173
methoxy(piperidin-1-yl)methanol
CID 90453688
3-piperazin-1-yloxybutan-2-ol
CID 22485419

Frequently Asked Questions

What is the IUPAC name of diazinan-1-yl(propan-2-yloxy)methanol?
The IUPAC name of diazinan-1-yl(propan-2-yloxy)methanol (CID 170012653) is diazinan-1-yl(propan-2-yloxy)methanol.
What is the SMILES notation for diazinan-1-yl(propan-2-yloxy)methanol?
The canonical SMILES for diazinan-1-yl(propan-2-yloxy)methanol is CC(C)OC(O)N1CCCCN1.
What is the InChIKey of diazinan-1-yl(propan-2-yloxy)methanol?
The InChIKey is CXVDTMSOIDGOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-7(2)12-8(11)10-6-4-3-5-9-10/h7-9,11H,3-6H2,1-2H3.
What are the key properties of diazinan-1-yl(propan-2-yloxy)methanol?
diazinan-1-yl(propan-2-yloxy)methanol has a molecular weight of 174.24 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diazinan-1-yl(propan-2-yloxy)methanol is sourced from PubChem (CID 170012653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).