3-amino-1-(4-hydroxy-4-methylazepan-1-yl)-2-methoxypropan-1-one

C11H22N2O3 — CID 106114163

IUPAC3-amino-1-(4-hydroxy-4-methylazepan-1-yl)-2-methoxypropan-1-one
SMILESCOC(CN)C(=O)N1CCCC(C)(O)CC1
InChIInChI=1S/C11H22N2O3/c1-11(15)4-3-6-13(7-5-11)10(14)9(8-12)16-2/h9,15H,3-8,12H2,1-2H3
InChIKeyYJGOHXHYGHRUTK-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.28
Rot. Bonds3

About 3-amino-1-(4-hydroxy-4-methylazepan-1-yl)-2-methoxypropan-1-one

3-amino-1-(4-hydroxy-4-methylazepan-1-yl)-2-methoxypropan-1-one (PubChem CID 106114163) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-amino-1-(4-hydroxy-4-methylazepan-1-yl)-2-methoxypropan-1-one.

Molecular Properties

Compound Name3-amino-1-(4-hydroxy-4-methylazepan-1-yl)-2-methoxypropan-1-one
PubChem CID106114163
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name3-amino-1-(4-hydroxy-4-methylazepan-1-yl)-2-methoxypropan-1-one
SMILESCOC(CN)C(=O)N1CCCC(C)(O)CC1
InChIInChI=1S/C11H22N2O3/c1-11(15)4-3-6-13(7-5-11)10(14)9(8-12)16-2/h9,15H,3-8,12H2,1-2H3
InChIKeyYJGOHXHYGHRUTK-UHFFFAOYSA-N
XLogP-0.28
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,6S)-4-ethyl-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 129069917
4-Ethyl-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 129069925
(2R,6R)-4-ethyl-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 129070223
(2S,6S)-4-ethyl-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 129070227
1-(4-Hydroxy-4-methylazepan-1-yl)-2-methoxy-2-methylbutan-1-one
CID 105652056
3-Amino-2-methoxy-1-(4-methylazepan-1-yl)propan-1-one
CID 106112871
3-Amino-1-(4-ethylazepan-1-yl)-2-methoxypropan-1-one
CID 106112954
3-Amino-2-methoxy-1-(4-propylazepan-1-yl)propan-1-one
CID 106112955
3-amino-N-[(1-hydroxycyclopentyl)methyl]-2-methoxypropanamide
CID 106113018
3-Amino-1-(4,4-dimethylazepan-1-yl)-2-methoxypropan-1-one
CID 106113030
3-amino-N-(2-hydroxy-2,4-dimethylpentyl)-2-methoxypropanamide
CID 106113085
3-Amino-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methoxypropan-1-one
CID 106113217

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-hydroxy-4-methylazepan-1-yl)-2-methoxypropan-1-one?
The IUPAC name of 3-amino-1-(4-hydroxy-4-methylazepan-1-yl)-2-methoxypropan-1-one (CID 106114163) is 3-amino-1-(4-hydroxy-4-methylazepan-1-yl)-2-methoxypropan-1-one.
What is the SMILES notation for 3-amino-1-(4-hydroxy-4-methylazepan-1-yl)-2-methoxypropan-1-one?
The canonical SMILES for 3-amino-1-(4-hydroxy-4-methylazepan-1-yl)-2-methoxypropan-1-one is COC(CN)C(=O)N1CCCC(C)(O)CC1.
What is the InChIKey of 3-amino-1-(4-hydroxy-4-methylazepan-1-yl)-2-methoxypropan-1-one?
The InChIKey is YJGOHXHYGHRUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-11(15)4-3-6-13(7-5-11)10(14)9(8-12)16-2/h9,15H,3-8,12H2,1-2H3.
What are the key properties of 3-amino-1-(4-hydroxy-4-methylazepan-1-yl)-2-methoxypropan-1-one?
3-amino-1-(4-hydroxy-4-methylazepan-1-yl)-2-methoxypropan-1-one has a molecular weight of 230.31 g/mol, XLogP of -0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-hydroxy-4-methylazepan-1-yl)-2-methoxypropan-1-one is sourced from PubChem (CID 106114163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).