4-(2-aminoethyl)-2,6-dimethylheptan-3-one

C11H23NO — CID 58385262

IUPAC4-(2-aminoethyl)-2,6-dimethylheptan-3-one
SMILESCC(C)CC(CCN)C(=O)C(C)C
InChIInChI=1S/C11H23NO/c1-8(2)7-10(5-6-12)11(13)9(3)4/h8-10H,5-7,12H2,1-4H3
InChIKeyBLPFWVOTOJHQDW-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.22
Rot. Bonds6

About 4-(2-aminoethyl)-2,6-dimethylheptan-3-one

4-(2-aminoethyl)-2,6-dimethylheptan-3-one (PubChem CID 58385262) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 4-(2-aminoethyl)-2,6-dimethylheptan-3-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-2,6-dimethylheptan-3-one
PubChem CID58385262
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name4-(2-aminoethyl)-2,6-dimethylheptan-3-one
SMILESCC(C)CC(CCN)C(=O)C(C)C
InChIInChI=1S/C11H23NO/c1-8(2)7-10(5-6-12)11(13)9(3)4/h8-10H,5-7,12H2,1-4H3
InChIKeyBLPFWVOTOJHQDW-UHFFFAOYSA-N
XLogP2.22
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-2,6-dimethylheptan-3-one?
The IUPAC name of 4-(2-aminoethyl)-2,6-dimethylheptan-3-one (CID 58385262) is 4-(2-aminoethyl)-2,6-dimethylheptan-3-one.
What is the SMILES notation for 4-(2-aminoethyl)-2,6-dimethylheptan-3-one?
The canonical SMILES for 4-(2-aminoethyl)-2,6-dimethylheptan-3-one is CC(C)CC(CCN)C(=O)C(C)C.
What is the InChIKey of 4-(2-aminoethyl)-2,6-dimethylheptan-3-one?
The InChIKey is BLPFWVOTOJHQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-8(2)7-10(5-6-12)11(13)9(3)4/h8-10H,5-7,12H2,1-4H3.
What are the key properties of 4-(2-aminoethyl)-2,6-dimethylheptan-3-one?
4-(2-aminoethyl)-2,6-dimethylheptan-3-one has a molecular weight of 185.31 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-2,6-dimethylheptan-3-one is sourced from PubChem (CID 58385262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).