4-(5,5-dimethyloxolan-2-yl)-N-methylbutan-2-amine

C11H23NO — CID 116522565

IUPAC4-(5,5-dimethyloxolan-2-yl)-N-methylbutan-2-amine
SMILESCNC(C)CCC1CCC(C)(C)O1
InChIInChI=1S/C11H23NO/c1-9(12-4)5-6-10-7-8-11(2,3)13-10/h9-10,12H,5-8H2,1-4H3
InChIKeyDZYBBZFONWJXOS-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.33
Rot. Bonds4

About 4-(5,5-dimethyloxolan-2-yl)-N-methylbutan-2-amine

4-(5,5-dimethyloxolan-2-yl)-N-methylbutan-2-amine (PubChem CID 116522565) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 4-(5,5-dimethyloxolan-2-yl)-N-methylbutan-2-amine.

Molecular Properties

Compound Name4-(5,5-dimethyloxolan-2-yl)-N-methylbutan-2-amine
PubChem CID116522565
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name4-(5,5-dimethyloxolan-2-yl)-N-methylbutan-2-amine
SMILESCNC(C)CCC1CCC(C)(C)O1
InChIInChI=1S/C11H23NO/c1-9(12-4)5-6-10-7-8-11(2,3)13-10/h9-10,12H,5-8H2,1-4H3
InChIKeyDZYBBZFONWJXOS-UHFFFAOYSA-N
XLogP2.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5,5-dimethyloxolan-2-yl)-N-propylbutan-2-amine
CID 116522567
5-(3-bromo-4-methylpentyl)-2,2-dimethyloxolane
CID 116523355
5-(4-bromopentyl)-2,2-dimethyloxolane
CID 116524361
1-(5,5-dimethyloxolan-2-yl)-4-methyl-N-propylpentan-3-amine
CID 116522578
5-(3-bromohexyl)-2,2-dimethyloxolane
CID 116523352
4-(5,5-dimethyloxolan-2-yl)-N-propan-2-ylbutan-1-amine
CID 116524277
1-(5,5-dimethyloxolan-2-yl)-N-ethylpropan-2-amine
CID 116524133
4-(5,5-dimethyloxolan-2-yl)-1-methoxybutan-2-ol
CID 116523324
5-(3-chloro-4-methoxybutyl)-2,2-dimethyloxolane
CID 116523365
N-[3-(5,5-dimethyloxolan-2-yl)propyl]-2-methylpropan-1-amine
CID 116523545
3-(5,5-dimethyloxolan-2-yl)propan-1-ol
CID 116523847
5-(4-chlorohexyl)-2,2-dimethyloxolane
CID 116524355

Frequently Asked Questions

What is the IUPAC name of 4-(5,5-dimethyloxolan-2-yl)-N-methylbutan-2-amine?
The IUPAC name of 4-(5,5-dimethyloxolan-2-yl)-N-methylbutan-2-amine (CID 116522565) is 4-(5,5-dimethyloxolan-2-yl)-N-methylbutan-2-amine.
What is the SMILES notation for 4-(5,5-dimethyloxolan-2-yl)-N-methylbutan-2-amine?
The canonical SMILES for 4-(5,5-dimethyloxolan-2-yl)-N-methylbutan-2-amine is CNC(C)CCC1CCC(C)(C)O1.
What is the InChIKey of 4-(5,5-dimethyloxolan-2-yl)-N-methylbutan-2-amine?
The InChIKey is DZYBBZFONWJXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(12-4)5-6-10-7-8-11(2,3)13-10/h9-10,12H,5-8H2,1-4H3.
What are the key properties of 4-(5,5-dimethyloxolan-2-yl)-N-methylbutan-2-amine?
4-(5,5-dimethyloxolan-2-yl)-N-methylbutan-2-amine has a molecular weight of 185.31 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,5-dimethyloxolan-2-yl)-N-methylbutan-2-amine is sourced from PubChem (CID 116522565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).