4-methyl-N-(3-methylbutan-2-yl)oxolan-3-amine

C10H21NO — CID 164651094

IUPAC4-methyl-N-(3-methylbutan-2-yl)oxolan-3-amine
SMILESCC(C)C(C)NC1COCC1C
InChIInChI=1S/C10H21NO/c1-7(2)9(4)11-10-6-12-5-8(10)3/h7-11H,5-6H2,1-4H3
InChIKeyDWWXVOSZJHYSAB-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.66
Rot. Bonds3

About 4-methyl-N-(3-methylbutan-2-yl)oxolan-3-amine

4-methyl-N-(3-methylbutan-2-yl)oxolan-3-amine (PubChem CID 164651094) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 4-methyl-N-(3-methylbutan-2-yl)oxolan-3-amine.

Molecular Properties

Compound Name4-methyl-N-(3-methylbutan-2-yl)oxolan-3-amine
PubChem CID164651094
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name4-methyl-N-(3-methylbutan-2-yl)oxolan-3-amine
SMILESCC(C)C(C)NC1COCC1C
InChIInChI=1S/C10H21NO/c1-7(2)9(4)11-10-6-12-5-8(10)3/h7-11H,5-6H2,1-4H3
InChIKeyDWWXVOSZJHYSAB-UHFFFAOYSA-N
XLogP1.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methylbutan-2-yl)oxolan-3-amine?
The IUPAC name of 4-methyl-N-(3-methylbutan-2-yl)oxolan-3-amine (CID 164651094) is 4-methyl-N-(3-methylbutan-2-yl)oxolan-3-amine.
What is the SMILES notation for 4-methyl-N-(3-methylbutan-2-yl)oxolan-3-amine?
The canonical SMILES for 4-methyl-N-(3-methylbutan-2-yl)oxolan-3-amine is CC(C)C(C)NC1COCC1C.
What is the InChIKey of 4-methyl-N-(3-methylbutan-2-yl)oxolan-3-amine?
The InChIKey is DWWXVOSZJHYSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-7(2)9(4)11-10-6-12-5-8(10)3/h7-11H,5-6H2,1-4H3.
What are the key properties of 4-methyl-N-(3-methylbutan-2-yl)oxolan-3-amine?
4-methyl-N-(3-methylbutan-2-yl)oxolan-3-amine has a molecular weight of 171.28 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methylbutan-2-yl)oxolan-3-amine is sourced from PubChem (CID 164651094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).