2-methyl-6-(propan-2-ylamino)heptan-3-one

C11H23NO — CID 58709655

IUPAC2-methyl-6-(propan-2-ylamino)heptan-3-one
SMILESCC(C)NC(C)CCC(=O)C(C)C
InChIInChI=1S/C11H23NO/c1-8(2)11(13)7-6-10(5)12-9(3)4/h8-10,12H,6-7H2,1-5H3
InChIKeyOTYQQBPXHXGKKC-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.38
Rot. Bonds6

About 2-methyl-6-(propan-2-ylamino)heptan-3-one

2-methyl-6-(propan-2-ylamino)heptan-3-one (PubChem CID 58709655) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-methyl-6-(propan-2-ylamino)heptan-3-one.

Molecular Properties

Compound Name2-methyl-6-(propan-2-ylamino)heptan-3-one
PubChem CID58709655
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-methyl-6-(propan-2-ylamino)heptan-3-one
SMILESCC(C)NC(C)CCC(=O)C(C)C
InChIInChI=1S/C11H23NO/c1-8(2)11(13)7-6-10(5)12-9(3)4/h8-10,12H,6-7H2,1-5H3
InChIKeyOTYQQBPXHXGKKC-UHFFFAOYSA-N
XLogP2.38
TPSA29.10 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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(propan-2-ylamino)heptan-3-one?
The IUPAC name of 2-methyl-6-(propan-2-ylamino)heptan-3-one (CID 58709655) is 2-methyl-6-(propan-2-ylamino)heptan-3-one.
What is the SMILES notation for 2-methyl-6-(propan-2-ylamino)heptan-3-one?
The canonical SMILES for 2-methyl-6-(propan-2-ylamino)heptan-3-one is CC(C)NC(C)CCC(=O)C(C)C.
What is the InChIKey of 2-methyl-6-(propan-2-ylamino)heptan-3-one?
The InChIKey is OTYQQBPXHXGKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-8(2)11(13)7-6-10(5)12-9(3)4/h8-10,12H,6-7H2,1-5H3.
What are the key properties of 2-methyl-6-(propan-2-ylamino)heptan-3-one?
2-methyl-6-(propan-2-ylamino)heptan-3-one has a molecular weight of 185.31 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(propan-2-ylamino)heptan-3-one is sourced from PubChem (CID 58709655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).