4-(1,4-oxazepan-4-yl)pentan-2-amine

C10H22N2O — CID 64708259

IUPAC4-(1,4-oxazepan-4-yl)pentan-2-amine
SMILESCC(N)CC(C)N1CCCOCC1
InChIInChI=1S/C10H22N2O/c1-9(11)8-10(2)12-4-3-6-13-7-5-12/h9-10H,3-8,11H2,1-2H3
InChIKeyZBBBGHQXUMNZCE-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.83
Rot. Bonds3

About 4-(1,4-oxazepan-4-yl)pentan-2-amine

4-(1,4-oxazepan-4-yl)pentan-2-amine (PubChem CID 64708259) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 4-(1,4-oxazepan-4-yl)pentan-2-amine.

Molecular Properties

Compound Name4-(1,4-oxazepan-4-yl)pentan-2-amine
PubChem CID64708259
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name4-(1,4-oxazepan-4-yl)pentan-2-amine
SMILESCC(N)CC(C)N1CCCOCC1
InChIInChI=1S/C10H22N2O/c1-9(11)8-10(2)12-4-3-6-13-7-5-12/h9-10H,3-8,11H2,1-2H3
InChIKeyZBBBGHQXUMNZCE-UHFFFAOYSA-N
XLogP0.83
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(1,4-oxazepan-4-yl)pentan-2-amine 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

3-(1,4-oxazepan-4-yl)butanethioamide
CID 62988867
4-(1,4-oxazepan-4-yl)pentan-2-one
CID 64696480
4-propan-2-yl-1,4-oxazepane;hydrate
CID 176712925
N-(2-methylpropyl)-3-(1,4-oxazepan-4-yl)butan-1-amine
CID 62973036
1-(4-piperidin-1-ylpentan-2-yl)piperidine
CID 174442116
4-(3-methyl-1,4-oxazepan-4-yl)pentan-2-amine
CID 130952021
N-ethyl-4-morpholin-4-ylpentan-2-amine
CID 64706123
4-[(2R)-1-morpholin-4-ylpropan-2-yl]morpholine
CID 28775628
ethane;2-morpholin-4-ylpropan-1-ol
CID 142923575
1-(4-methylpentan-2-yl)pyrrolidine
CID 59761841
4-(4-ethylpiperazin-1-yl)pentan-2-amine
CID 64707978
3-methoxy-2-(1,4-oxazepan-4-yl)propan-1-amine
CID 103226384

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-oxazepan-4-yl)pentan-2-amine?
The IUPAC name of 4-(1,4-oxazepan-4-yl)pentan-2-amine (CID 64708259) is 4-(1,4-oxazepan-4-yl)pentan-2-amine.
What is the SMILES notation for 4-(1,4-oxazepan-4-yl)pentan-2-amine?
The canonical SMILES for 4-(1,4-oxazepan-4-yl)pentan-2-amine is CC(N)CC(C)N1CCCOCC1.
What is the InChIKey of 4-(1,4-oxazepan-4-yl)pentan-2-amine?
The InChIKey is ZBBBGHQXUMNZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-9(11)8-10(2)12-4-3-6-13-7-5-12/h9-10H,3-8,11H2,1-2H3.
What are the key properties of 4-(1,4-oxazepan-4-yl)pentan-2-amine?
4-(1,4-oxazepan-4-yl)pentan-2-amine has a molecular weight of 186.30 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-oxazepan-4-yl)pentan-2-amine is sourced from PubChem (CID 64708259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).