2,3-dimethyl-N-(3-methylbutyl)oxolan-3-amine

C11H23NO — CID 103578792

IUPAC2,3-dimethyl-N-(3-methylbutyl)oxolan-3-amine
SMILESCC(C)CCNC1(C)CCOC1C
InChIInChI=1S/C11H23NO/c1-9(2)5-7-12-11(4)6-8-13-10(11)3/h9-10,12H,5-8H2,1-4H3
InChIKeyNCQXKUZPDAZMOM-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.19
Rot. Bonds4

About 2,3-dimethyl-N-(3-methylbutyl)oxolan-3-amine

2,3-dimethyl-N-(3-methylbutyl)oxolan-3-amine (PubChem CID 103578792) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2,3-dimethyl-N-(3-methylbutyl)oxolan-3-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-(3-methylbutyl)oxolan-3-amine
PubChem CID103578792
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2,3-dimethyl-N-(3-methylbutyl)oxolan-3-amine
SMILESCC(C)CCNC1(C)CCOC1C
InChIInChI=1S/C11H23NO/c1-9(2)5-7-12-11(4)6-8-13-10(11)3/h9-10,12H,5-8H2,1-4H3
InChIKeyNCQXKUZPDAZMOM-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(3-methylbutyl)oxolan-3-amine?
The IUPAC name of 2,3-dimethyl-N-(3-methylbutyl)oxolan-3-amine (CID 103578792) is 2,3-dimethyl-N-(3-methylbutyl)oxolan-3-amine.
What is the SMILES notation for 2,3-dimethyl-N-(3-methylbutyl)oxolan-3-amine?
The canonical SMILES for 2,3-dimethyl-N-(3-methylbutyl)oxolan-3-amine is CC(C)CCNC1(C)CCOC1C.
What is the InChIKey of 2,3-dimethyl-N-(3-methylbutyl)oxolan-3-amine?
The InChIKey is NCQXKUZPDAZMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(2)5-7-12-11(4)6-8-13-10(11)3/h9-10,12H,5-8H2,1-4H3.
What are the key properties of 2,3-dimethyl-N-(3-methylbutyl)oxolan-3-amine?
2,3-dimethyl-N-(3-methylbutyl)oxolan-3-amine has a molecular weight of 185.31 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(3-methylbutyl)oxolan-3-amine is sourced from PubChem (CID 103578792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).