6-amino-4,4-dimethylhexan-3-one

C8H17NO — CID 116916283

IUPAC6-amino-4,4-dimethylhexan-3-one
SMILESCCC(=O)C(C)(C)CCN
InChIInChI=1S/C8H17NO/c1-4-7(10)8(2,3)5-6-9/h4-6,9H2,1-3H3
InChIKeyPOJSSHUPZXVBNB-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.34
Rot. Bonds4

About 6-amino-4,4-dimethylhexan-3-one

6-amino-4,4-dimethylhexan-3-one (PubChem CID 116916283) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 6-amino-4,4-dimethylhexan-3-one.

Molecular Properties

Compound Name6-amino-4,4-dimethylhexan-3-one
PubChem CID116916283
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name6-amino-4,4-dimethylhexan-3-one
SMILESCCC(=O)C(C)(C)CCN
InChIInChI=1S/C8H17NO/c1-4-7(10)8(2,3)5-6-9/h4-6,9H2,1-3H3
InChIKeyPOJSSHUPZXVBNB-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-Aminoethyl)-3-fluorohexan-2-one
CID 91612917
6-Amino-2-methylhexan-3-one
CID 20612178
2,2,5,5-Tetramethyl-6-(methylamino)hexan-3-one
CID 21338896
6-Amino-2,2-dimethylhexan-3-one
CID 21338901
6-Amino-3-(2-aminoethyl)hexan-2-one
CID 22709233
4,4-Bis(aminomethyl)hexan-3-one
CID 53799454
1-Amino-6-methylheptan-4-one
CID 54013673
4-(Aminomethyl)-2-methylhexan-3-one
CID 55290625
5-Amino-4,4-dimethylpentan-2-one
CID 57114917
1-Amino-5,5-dimethylhexan-2-one
CID 57588324
7-Amino-3,3-dimethylheptan-2-one
CID 57817068
4,6-Diamino-2,2-dimethylhexan-3-one
CID 57839786

Frequently Asked Questions

What is the IUPAC name of 6-amino-4,4-dimethylhexan-3-one?
The IUPAC name of 6-amino-4,4-dimethylhexan-3-one (CID 116916283) is 6-amino-4,4-dimethylhexan-3-one.
What is the SMILES notation for 6-amino-4,4-dimethylhexan-3-one?
The canonical SMILES for 6-amino-4,4-dimethylhexan-3-one is CCC(=O)C(C)(C)CCN.
What is the InChIKey of 6-amino-4,4-dimethylhexan-3-one?
The InChIKey is POJSSHUPZXVBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-7(10)8(2,3)5-6-9/h4-6,9H2,1-3H3.
What are the key properties of 6-amino-4,4-dimethylhexan-3-one?
6-amino-4,4-dimethylhexan-3-one has a molecular weight of 143.23 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4,4-dimethylhexan-3-one is sourced from PubChem (CID 116916283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).