1-amino-3,3,5,5-tetramethylhexan-2-one

C10H21NO — CID 146527392

IUPAC1-amino-3,3,5,5-tetramethylhexan-2-one
SMILESCC(C)(C)CC(C)(C)C(=O)CN
InChIInChI=1S/C10H21NO/c1-9(2,3)7-10(4,5)8(12)6-11/h6-7,11H2,1-5H3
InChIKeyNGWBTQPNTGCURK-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.98
Rot. Bonds3

About 1-amino-3,3,5,5-tetramethylhexan-2-one

1-amino-3,3,5,5-tetramethylhexan-2-one (PubChem CID 146527392) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-amino-3,3,5,5-tetramethylhexan-2-one.

Molecular Properties

Compound Name1-amino-3,3,5,5-tetramethylhexan-2-one
PubChem CID146527392
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-amino-3,3,5,5-tetramethylhexan-2-one
SMILESCC(C)(C)CC(C)(C)C(=O)CN
InChIInChI=1S/C10H21NO/c1-9(2,3)7-10(4,5)8(12)6-11/h6-7,11H2,1-5H3
InChIKeyNGWBTQPNTGCURK-UHFFFAOYSA-N
XLogP1.98
TPSA43.09 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 ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3,3,5,5-tetramethylhexan-2-one?
The IUPAC name of 1-amino-3,3,5,5-tetramethylhexan-2-one (CID 146527392) is 1-amino-3,3,5,5-tetramethylhexan-2-one.
What is the SMILES notation for 1-amino-3,3,5,5-tetramethylhexan-2-one?
The canonical SMILES for 1-amino-3,3,5,5-tetramethylhexan-2-one is CC(C)(C)CC(C)(C)C(=O)CN.
What is the InChIKey of 1-amino-3,3,5,5-tetramethylhexan-2-one?
The InChIKey is NGWBTQPNTGCURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-9(2,3)7-10(4,5)8(12)6-11/h6-7,11H2,1-5H3.
What are the key properties of 1-amino-3,3,5,5-tetramethylhexan-2-one?
1-amino-3,3,5,5-tetramethylhexan-2-one has a molecular weight of 171.28 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3,3,5,5-tetramethylhexan-2-one is sourced from PubChem (CID 146527392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).