4-(aminomethyl)-2-methylhexan-3-one

C8H17NO — CID 55290625

IUPAC4-(aminomethyl)-2-methylhexan-3-one
SMILESCCC(CN)C(=O)C(C)C
InChIInChI=1S/C8H17NO/c1-4-7(5-9)8(10)6(2)3/h6-7H,4-5,9H2,1-3H3
InChIKeyBUKSOFCFSSEUQG-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.20
Rot. Bonds4

About 4-(aminomethyl)-2-methylhexan-3-one

4-(aminomethyl)-2-methylhexan-3-one (PubChem CID 55290625) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 4-(aminomethyl)-2-methylhexan-3-one.

Molecular Properties

Compound Name4-(aminomethyl)-2-methylhexan-3-one
PubChem CID55290625
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name4-(aminomethyl)-2-methylhexan-3-one
SMILESCCC(CN)C(=O)C(C)C
InChIInChI=1S/C8H17NO/c1-4-7(5-9)8(10)6(2)3/h6-7H,4-5,9H2,1-3H3
InChIKeyBUKSOFCFSSEUQG-UHFFFAOYSA-N
XLogP1.20
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-methylhexan-3-one?
The IUPAC name of 4-(aminomethyl)-2-methylhexan-3-one (CID 55290625) is 4-(aminomethyl)-2-methylhexan-3-one.
What is the SMILES notation for 4-(aminomethyl)-2-methylhexan-3-one?
The canonical SMILES for 4-(aminomethyl)-2-methylhexan-3-one is CCC(CN)C(=O)C(C)C.
What is the InChIKey of 4-(aminomethyl)-2-methylhexan-3-one?
The InChIKey is BUKSOFCFSSEUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-7(5-9)8(10)6(2)3/h6-7H,4-5,9H2,1-3H3.
What are the key properties of 4-(aminomethyl)-2-methylhexan-3-one?
4-(aminomethyl)-2-methylhexan-3-one has a molecular weight of 143.23 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-methylhexan-3-one is sourced from PubChem (CID 55290625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).