5-amino-1-methoxypentan-2-one;2-methylpropane

C10H23NO2 — CID 143744852

IUPAC5-amino-1-methoxypentan-2-one;2-methylpropane
SMILESCC(C)C.COCC(=O)CCCN
InChIInChI=1S/C6H13NO2.C4H10/c1-9-5-6(8)3-2-4-7;1-4(2)3/h2-5,7H2,1H3;4H,1-3H3
InChIKeyQQAGFNJRAJWQET-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.60
Rot. Bonds5

About 5-amino-1-methoxypentan-2-one;2-methylpropane

5-amino-1-methoxypentan-2-one;2-methylpropane (PubChem CID 143744852) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 5-amino-1-methoxypentan-2-one;2-methylpropane.

Molecular Properties

Compound Name5-amino-1-methoxypentan-2-one;2-methylpropane
PubChem CID143744852
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name5-amino-1-methoxypentan-2-one;2-methylpropane
SMILESCC(C)C.COCC(=O)CCCN
InChIInChI=1S/C6H13NO2.C4H10/c1-9-5-6(8)3-2-4-7;1-4(2)3/h2-5,7H2,1H3;4H,1-3H3
InChIKeyQQAGFNJRAJWQET-UHFFFAOYSA-N
XLogP1.60
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methoxypentan-2-one;2-methylpropane?
The IUPAC name of 5-amino-1-methoxypentan-2-one;2-methylpropane (CID 143744852) is 5-amino-1-methoxypentan-2-one;2-methylpropane.
What is the SMILES notation for 5-amino-1-methoxypentan-2-one;2-methylpropane?
The canonical SMILES for 5-amino-1-methoxypentan-2-one;2-methylpropane is CC(C)C.COCC(=O)CCCN.
What is the InChIKey of 5-amino-1-methoxypentan-2-one;2-methylpropane?
The InChIKey is QQAGFNJRAJWQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.C4H10/c1-9-5-6(8)3-2-4-7;1-4(2)3/h2-5,7H2,1H3;4H,1-3H3.
What are the key properties of 5-amino-1-methoxypentan-2-one;2-methylpropane?
5-amino-1-methoxypentan-2-one;2-methylpropane has a molecular weight of 189.30 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-methoxypentan-2-one;2-methylpropane is sourced from PubChem (CID 143744852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).