4-[(2-methylidenebutylamino)methyl]oxan-4-ol

C11H21NO2 — CID 81131211

IUPAC4-[(2-methylidenebutylamino)methyl]oxan-4-ol
SMILESC=C(CC)CNCC1(O)CCOCC1
InChIInChI=1S/C11H21NO2/c1-3-10(2)8-12-9-11(13)4-6-14-7-5-11/h12-13H,2-9H2,1H3
InChIKeyJNZKKWBUUWHOSU-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.08
Rot. Bonds5

About 4-[(2-methylidenebutylamino)methyl]oxan-4-ol

4-[(2-methylidenebutylamino)methyl]oxan-4-ol (PubChem CID 81131211) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 4-[(2-methylidenebutylamino)methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[(2-methylidenebutylamino)methyl]oxan-4-ol
PubChem CID81131211
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name4-[(2-methylidenebutylamino)methyl]oxan-4-ol
SMILESC=C(CC)CNCC1(O)CCOCC1
InChIInChI=1S/C11H21NO2/c1-3-10(2)8-12-9-11(13)4-6-14-7-5-11/h12-13H,2-9H2,1H3
InChIKeyJNZKKWBUUWHOSU-UHFFFAOYSA-N
XLogP1.08
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-hydroxyoxan-4-yl)methylamino]acetamide
CID 81130797
4-(ethylaminomethyl)oxepan-4-ol
CID 65080985
2-[(4-hydroxyoxan-4-yl)methylamino]-N-pentan-2-ylacetamide
CID 81130965
N-butan-2-yl-2-[(4-hydroxyoxan-4-yl)methylamino]acetamide
CID 81131141
2-[1-[(2-methylidenebutylamino)methyl]cyclopropyl]ethanol
CID 114756336
4-[[(3-methyloxetan-3-yl)methylamino]methyl]oxan-4-ol
CID 81130877
4-[(2-butoxyethylamino)methyl]oxan-4-ol
CID 81131048
N,N-dimethyl-1-[(2-methylidenebutylamino)methyl]cyclobutan-1-amine
CID 105416854
4-[[[2-(hydroxymethyl)-2-methylbutyl]amino]methyl]oxan-4-ol
CID 81419874
4-[[(3-hydroxy-2-methylpropyl)amino]methyl]oxan-4-ol
CID 115746977
2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2-methoxyethyl)acetamide
CID 81130287
4-[(methoxyamino)methyl]oxan-4-ol
CID 130638339

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylidenebutylamino)methyl]oxan-4-ol?
The IUPAC name of 4-[(2-methylidenebutylamino)methyl]oxan-4-ol (CID 81131211) is 4-[(2-methylidenebutylamino)methyl]oxan-4-ol.
What is the SMILES notation for 4-[(2-methylidenebutylamino)methyl]oxan-4-ol?
The canonical SMILES for 4-[(2-methylidenebutylamino)methyl]oxan-4-ol is C=C(CC)CNCC1(O)CCOCC1.
What is the InChIKey of 4-[(2-methylidenebutylamino)methyl]oxan-4-ol?
The InChIKey is JNZKKWBUUWHOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-10(2)8-12-9-11(13)4-6-14-7-5-11/h12-13H,2-9H2,1H3.
What are the key properties of 4-[(2-methylidenebutylamino)methyl]oxan-4-ol?
4-[(2-methylidenebutylamino)methyl]oxan-4-ol has a molecular weight of 199.29 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylidenebutylamino)methyl]oxan-4-ol is sourced from PubChem (CID 81131211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).