2-amino-1-(2-ethylazepan-1-yl)butan-1-one

C12H24N2O — CID 115734570

IUPAC2-amino-1-(2-ethylazepan-1-yl)butan-1-one
SMILESCCC(N)C(=O)N1CCCCCC1CC
InChIInChI=1S/C12H24N2O/c1-3-10-8-6-5-7-9-14(10)12(15)11(13)4-2/h10-11H,3-9,13H2,1-2H3
InChIKeyNIPAXBRPAOTNRQ-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.90
Rot. Bonds3

About 2-amino-1-(2-ethylazepan-1-yl)butan-1-one

2-amino-1-(2-ethylazepan-1-yl)butan-1-one (PubChem CID 115734570) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-amino-1-(2-ethylazepan-1-yl)butan-1-one.

Molecular Properties

Compound Name2-amino-1-(2-ethylazepan-1-yl)butan-1-one
PubChem CID115734570
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-amino-1-(2-ethylazepan-1-yl)butan-1-one
SMILESCCC(N)C(=O)N1CCCCCC1CC
InChIInChI=1S/C12H24N2O/c1-3-10-8-6-5-7-9-14(10)12(15)11(13)4-2/h10-11H,3-9,13H2,1-2H3
InChIKeyNIPAXBRPAOTNRQ-UHFFFAOYSA-N
XLogP1.90
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-ethylazepan-1-yl)butan-1-one?
The IUPAC name of 2-amino-1-(2-ethylazepan-1-yl)butan-1-one (CID 115734570) is 2-amino-1-(2-ethylazepan-1-yl)butan-1-one.
What is the SMILES notation for 2-amino-1-(2-ethylazepan-1-yl)butan-1-one?
The canonical SMILES for 2-amino-1-(2-ethylazepan-1-yl)butan-1-one is CCC(N)C(=O)N1CCCCCC1CC.
What is the InChIKey of 2-amino-1-(2-ethylazepan-1-yl)butan-1-one?
The InChIKey is NIPAXBRPAOTNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-10-8-6-5-7-9-14(10)12(15)11(13)4-2/h10-11H,3-9,13H2,1-2H3.
What are the key properties of 2-amino-1-(2-ethylazepan-1-yl)butan-1-one?
2-amino-1-(2-ethylazepan-1-yl)butan-1-one has a molecular weight of 212.34 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-ethylazepan-1-yl)butan-1-one is sourced from PubChem (CID 115734570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).