3-(3,3-dimethylbutyl)-2-methyloxolan-3-amine

C11H23NO — CID 114535392

IUPAC3-(3,3-dimethylbutyl)-2-methyloxolan-3-amine
SMILESCC1OCCC1(N)CCC(C)(C)C
InChIInChI=1S/C11H23NO/c1-9-11(12,7-8-13-9)6-5-10(2,3)4/h9H,5-8,12H2,1-4H3
InChIKeyDUFSYJBYFOMFBX-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.32
Rot. Bonds2

About 3-(3,3-dimethylbutyl)-2-methyloxolan-3-amine

3-(3,3-dimethylbutyl)-2-methyloxolan-3-amine (PubChem CID 114535392) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-(3,3-dimethylbutyl)-2-methyloxolan-3-amine.

Molecular Properties

Compound Name3-(3,3-dimethylbutyl)-2-methyloxolan-3-amine
PubChem CID114535392
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-(3,3-dimethylbutyl)-2-methyloxolan-3-amine
SMILESCC1OCCC1(N)CCC(C)(C)C
InChIInChI=1S/C11H23NO/c1-9-11(12,7-8-13-9)6-5-10(2,3)4/h9H,5-8,12H2,1-4H3
InChIKeyDUFSYJBYFOMFBX-UHFFFAOYSA-N
XLogP2.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylbutyl)-2-methyloxolan-3-amine?
The IUPAC name of 3-(3,3-dimethylbutyl)-2-methyloxolan-3-amine (CID 114535392) is 3-(3,3-dimethylbutyl)-2-methyloxolan-3-amine.
What is the SMILES notation for 3-(3,3-dimethylbutyl)-2-methyloxolan-3-amine?
The canonical SMILES for 3-(3,3-dimethylbutyl)-2-methyloxolan-3-amine is CC1OCCC1(N)CCC(C)(C)C.
What is the InChIKey of 3-(3,3-dimethylbutyl)-2-methyloxolan-3-amine?
The InChIKey is DUFSYJBYFOMFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9-11(12,7-8-13-9)6-5-10(2,3)4/h9H,5-8,12H2,1-4H3.
What are the key properties of 3-(3,3-dimethylbutyl)-2-methyloxolan-3-amine?
3-(3,3-dimethylbutyl)-2-methyloxolan-3-amine has a molecular weight of 185.31 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutyl)-2-methyloxolan-3-amine is sourced from PubChem (CID 114535392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).