2-methyl-1-(1,4-oxazepan-4-yl)propan-2-ol

C9H19NO2 — CID 62972933

IUPAC2-methyl-1-(1,4-oxazepan-4-yl)propan-2-ol
SMILESCC(C)(O)CN1CCCOCC1
InChIInChI=1S/C9H19NO2/c1-9(2,11)8-10-4-3-6-12-7-5-10/h11H,3-8H2,1-2H3
InChIKeyJORYJTPILZIGRN-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.48
Rot. Bonds2

About 2-methyl-1-(1,4-oxazepan-4-yl)propan-2-ol

2-methyl-1-(1,4-oxazepan-4-yl)propan-2-ol (PubChem CID 62972933) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-methyl-1-(1,4-oxazepan-4-yl)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(1,4-oxazepan-4-yl)propan-2-ol
PubChem CID62972933
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name2-methyl-1-(1,4-oxazepan-4-yl)propan-2-ol
SMILESCC(C)(O)CN1CCCOCC1
InChIInChI=1S/C9H19NO2/c1-9(2,11)8-10-4-3-6-12-7-5-10/h11H,3-8H2,1-2H3
InChIKeyJORYJTPILZIGRN-UHFFFAOYSA-N
XLogP0.48
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-(1,4-oxazepan-4-yl)propan-2-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

4-(3-bromo-2,2-dimethylpropyl)-1,4-oxazepane
CID 64997840
methyl 2,2-dimethyl-3-(1,4-oxazepan-4-yl)propanoate
CID 79620916
1,2-dimorpholin-4-ylpropan-2-ol
CID 154210663
2-methyl-4-morpholin-4-ylbutan-2-ol
CID 79316740
1-[2-(aminomethyl)-1,4-oxazepan-4-yl]-2-methylpropan-2-ol
CID 131115600
2,2-dimethyl-N-(2-methylpropyl)-3-(1,4-oxazepan-4-yl)propan-1-amine
CID 62974441
8-(2,2,2-trifluoroethyl)-1,4-dioxa-8-azacycloundecane
CID 139387201
2-methyl-1-morpholin-4-ylpropan-2-amine;dihydrochloride
CID 118511951
N-ethyl-2-methyl-2-(1,4-oxazepan-4-ylmethyl)pentan-1-amine
CID 62973356
ethyl 2-amino-2-cyclopropyl-3-(1,4-oxazepan-4-yl)propanoate
CID 63927435
N,2-diethyl-2-(1,4-oxazepan-4-ylmethyl)butan-1-amine
CID 62974610
1,4-oxazepan-4-ylmethanethiol
CID 167082217

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1,4-oxazepan-4-yl)propan-2-ol?
The IUPAC name of 2-methyl-1-(1,4-oxazepan-4-yl)propan-2-ol (CID 62972933) is 2-methyl-1-(1,4-oxazepan-4-yl)propan-2-ol.
What is the SMILES notation for 2-methyl-1-(1,4-oxazepan-4-yl)propan-2-ol?
The canonical SMILES for 2-methyl-1-(1,4-oxazepan-4-yl)propan-2-ol is CC(C)(O)CN1CCCOCC1.
What is the InChIKey of 2-methyl-1-(1,4-oxazepan-4-yl)propan-2-ol?
The InChIKey is JORYJTPILZIGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-9(2,11)8-10-4-3-6-12-7-5-10/h11H,3-8H2,1-2H3.
What are the key properties of 2-methyl-1-(1,4-oxazepan-4-yl)propan-2-ol?
2-methyl-1-(1,4-oxazepan-4-yl)propan-2-ol has a molecular weight of 173.26 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1,4-oxazepan-4-yl)propan-2-ol is sourced from PubChem (CID 62972933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).