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

C12H25NO — CID 58385258

IUPAC4-(3-aminopropyl)-2,6-dimethylheptan-3-one
SMILESCC(C)CC(CCCN)C(=O)C(C)C
InChIInChI=1S/C12H25NO/c1-9(2)8-11(6-5-7-13)12(14)10(3)4/h9-11H,5-8,13H2,1-4H3
InChIKeyFKEYMKSGFQCYOS-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.61
Rot. Bonds7

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

4-(3-aminopropyl)-2,6-dimethylheptan-3-one (PubChem CID 58385258) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 4-(3-aminopropyl)-2,6-dimethylheptan-3-one.

Molecular Properties

Compound Name4-(3-aminopropyl)-2,6-dimethylheptan-3-one
PubChem CID58385258
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name4-(3-aminopropyl)-2,6-dimethylheptan-3-one
SMILESCC(C)CC(CCCN)C(=O)C(C)C
InChIInChI=1S/C12H25NO/c1-9(2)8-11(6-5-7-13)12(14)10(3)4/h9-11H,5-8,13H2,1-4H3
InChIKeyFKEYMKSGFQCYOS-UHFFFAOYSA-N
XLogP2.61
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-2,6-dimethylheptan-3-one?
The IUPAC name of 4-(3-aminopropyl)-2,6-dimethylheptan-3-one (CID 58385258) is 4-(3-aminopropyl)-2,6-dimethylheptan-3-one.
What is the SMILES notation for 4-(3-aminopropyl)-2,6-dimethylheptan-3-one?
The canonical SMILES for 4-(3-aminopropyl)-2,6-dimethylheptan-3-one is CC(C)CC(CCCN)C(=O)C(C)C.
What is the InChIKey of 4-(3-aminopropyl)-2,6-dimethylheptan-3-one?
The InChIKey is FKEYMKSGFQCYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-9(2)8-11(6-5-7-13)12(14)10(3)4/h9-11H,5-8,13H2,1-4H3.
What are the key properties of 4-(3-aminopropyl)-2,6-dimethylheptan-3-one?
4-(3-aminopropyl)-2,6-dimethylheptan-3-one has a molecular weight of 199.34 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-2,6-dimethylheptan-3-one is sourced from PubChem (CID 58385258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).