1-[2-(aminomethyl)-1,4-oxazepan-4-yl]-2-methylpropan-2-ol

C10H22N2O2 — CID 131115600

IUPAC1-[2-(aminomethyl)-1,4-oxazepan-4-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CCCOC(CN)C1
InChIInChI=1S/C10H22N2O2/c1-10(2,13)8-12-4-3-5-14-9(6-11)7-12/h9,13H,3-8,11H2,1-2H3
InChIKeyZDCHLDXDPMFIAW-UHFFFAOYSA-N
MW202.30 g/mol
LogP-0.19
Rot. Bonds3

About 1-[2-(aminomethyl)-1,4-oxazepan-4-yl]-2-methylpropan-2-ol

1-[2-(aminomethyl)-1,4-oxazepan-4-yl]-2-methylpropan-2-ol (PubChem CID 131115600) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-1,4-oxazepan-4-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[2-(aminomethyl)-1,4-oxazepan-4-yl]-2-methylpropan-2-ol
PubChem CID131115600
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name1-[2-(aminomethyl)-1,4-oxazepan-4-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CCCOC(CN)C1
InChIInChI=1S/C10H22N2O2/c1-10(2,13)8-12-4-3-5-14-9(6-11)7-12/h9,13H,3-8,11H2,1-2H3
InChIKeyZDCHLDXDPMFIAW-UHFFFAOYSA-N
XLogP-0.19
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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

Analyze 1-[2-(aminomethyl)-1,4-oxazepan-4-yl]-2-methylpropan-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

1-(2-ethylmorpholin-4-yl)-2-methylpropan-2-ol
CID 60885104
[4-(2-methylpropyl)-1,4-oxazepan-2-yl]methanamine
CID 131115606
1-(2-ethyl-1,4-oxazepan-4-yl)-2-methylpropan-2-amine;hydrochloride
CID 120849628
2-[2-(aminomethyl)-1,4-oxazepan-4-yl]-N-methylacetamide
CID 131054195
2-methyl-1-(1,4-oxazepan-4-yl)propan-2-ol
CID 62972933
[2-[(2-ethyl-1,4-oxazepan-4-yl)methyl]cyclopentyl]methanamine
CID 114218481
2-(2-ethyl-1,4-oxazepan-4-yl)ethanamine
CID 130485470
4-(2-benzyl-1,4-oxazepan-4-yl)-2,2,3,3-tetramethylbutan-1-amine
CID 91049837
2-[(2-ethyl-1,4-oxazepan-4-yl)methyl]-2-methylpentanoic acid
CID 114218749
1-[4-[2-(1,3-dioxan-2-yl)ethyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 66472318
tert-butyl 2-(aminomethyl)morpholine-4-carboxylate
CID 19081094
3-(2-ethylmorpholin-4-yl)-2,2-dimethylpropan-1-amine
CID 62258556

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-1,4-oxazepan-4-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[2-(aminomethyl)-1,4-oxazepan-4-yl]-2-methylpropan-2-ol (CID 131115600) is 1-[2-(aminomethyl)-1,4-oxazepan-4-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[2-(aminomethyl)-1,4-oxazepan-4-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[2-(aminomethyl)-1,4-oxazepan-4-yl]-2-methylpropan-2-ol is CC(C)(O)CN1CCCOC(CN)C1.
What is the InChIKey of 1-[2-(aminomethyl)-1,4-oxazepan-4-yl]-2-methylpropan-2-ol?
The InChIKey is ZDCHLDXDPMFIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-10(2,13)8-12-4-3-5-14-9(6-11)7-12/h9,13H,3-8,11H2,1-2H3.
What are the key properties of 1-[2-(aminomethyl)-1,4-oxazepan-4-yl]-2-methylpropan-2-ol?
1-[2-(aminomethyl)-1,4-oxazepan-4-yl]-2-methylpropan-2-ol has a molecular weight of 202.30 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-1,4-oxazepan-4-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 131115600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).