3-amino-1-ethoxyheptan-2-one

C9H19NO2 — CID 116556630

IUPAC3-amino-1-ethoxyheptan-2-one
SMILESCCCCC(N)C(=O)COCC
InChIInChI=1S/C9H19NO2/c1-3-5-6-8(10)9(11)7-12-4-2/h8H,3-7,10H2,1-2H3
InChIKeyZRAHLKFEWYOJKH-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.11
Rot. Bonds7

About 3-amino-1-ethoxyheptan-2-one

3-amino-1-ethoxyheptan-2-one (PubChem CID 116556630) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-amino-1-ethoxyheptan-2-one.

Molecular Properties

Compound Name3-amino-1-ethoxyheptan-2-one
PubChem CID116556630
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name3-amino-1-ethoxyheptan-2-one
SMILESCCCCC(N)C(=O)COCC
InChIInChI=1S/C9H19NO2/c1-3-5-6-8(10)9(11)7-12-4-2/h8H,3-7,10H2,1-2H3
InChIKeyZRAHLKFEWYOJKH-UHFFFAOYSA-N
XLogP1.11
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Amino-1-methoxyhexan-2-one
CID 82417772
CID 89706803
CID 89706803
(6-amino-2-oxoheptyl) (2S)-2,6-diaminohexanoate
CID 90932676
1-Methoxy-3-(methoxyamino)hexan-2-one
CID 91113874
3-Amino-6-(2-oxopropoxy)hexan-2-one
CID 91129175
7-Amino-1-ethoxyheptan-2-one
CID 116549919
7-Amino-1-methoxyheptan-2-one
CID 116549962
4-Amino-2-methoxy-7-methyloctan-3-one
CID 123725265
3-Amino-1-hydroxy-7-(2-oxopropoxy)heptan-2-one
CID 123897609
(2S)-2,6-diamino-1-(oxan-2-yl)hexan-1-one
CID 139637045
Octyl 3-amino-2-oxopentanoate
CID 141214221
Ethyl 3-amino-2-oxohexanoate
CID 141339528

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethoxyheptan-2-one?
The IUPAC name of 3-amino-1-ethoxyheptan-2-one (CID 116556630) is 3-amino-1-ethoxyheptan-2-one.
What is the SMILES notation for 3-amino-1-ethoxyheptan-2-one?
The canonical SMILES for 3-amino-1-ethoxyheptan-2-one is CCCCC(N)C(=O)COCC.
What is the InChIKey of 3-amino-1-ethoxyheptan-2-one?
The InChIKey is ZRAHLKFEWYOJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-3-5-6-8(10)9(11)7-12-4-2/h8H,3-7,10H2,1-2H3.
What are the key properties of 3-amino-1-ethoxyheptan-2-one?
3-amino-1-ethoxyheptan-2-one has a molecular weight of 173.26 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethoxyheptan-2-one is sourced from PubChem (CID 116556630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).