1-[4-(2-amino-1-hydroxyethyl)azepan-1-yl]ethanone

C10H20N2O2 — CID 115006831

IUPAC1-[4-(2-amino-1-hydroxyethyl)azepan-1-yl]ethanone
SMILESCC(=O)N1CCCC(C(O)CN)CC1
InChIInChI=1S/C10H20N2O2/c1-8(13)12-5-2-3-9(4-6-12)10(14)7-11/h9-10,14H,2-7,11H2,1H3
InChIKeyPNPOTWBMWDAMIA-UHFFFAOYSA-N
MW200.28 g/mol
LogP-0.05
Rot. Bonds2

About 1-[4-(2-amino-1-hydroxyethyl)azepan-1-yl]ethanone

1-[4-(2-amino-1-hydroxyethyl)azepan-1-yl]ethanone (PubChem CID 115006831) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-[4-(2-amino-1-hydroxyethyl)azepan-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-amino-1-hydroxyethyl)azepan-1-yl]ethanone
PubChem CID115006831
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-[4-(2-amino-1-hydroxyethyl)azepan-1-yl]ethanone
SMILESCC(=O)N1CCCC(C(O)CN)CC1
InChIInChI=1S/C10H20N2O2/c1-8(13)12-5-2-3-9(4-6-12)10(14)7-11/h9-10,14H,2-7,11H2,1H3
InChIKeyPNPOTWBMWDAMIA-UHFFFAOYSA-N
XLogP-0.05
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2-amino-1-hydroxyethyl)azetidin-1-yl]ethanone
CID 115006765
methyl 4-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate
CID 83881160
methyl 3-(2-amino-1-hydroxyethyl)azepane-1-carboxylate
CID 115006437
4-amino-3-methyl-1-(4-propan-2-ylazepan-1-yl)butan-1-one
CID 81079619
1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 12791779
2-amino-1-cyclopropylethanol
CID 14852098
2-(1-acetylpiperidin-3-yl)-2-hydroxyacetic acid
CID 131491204
N-(1-acetylpiperidin-4-yl)-3-amino-2-methylpropanamide
CID 62671383
2-(1-acetylpiperidin-3-yl)butanoic acid
CID 82613153
1-[3-(2-amino-1-hydroxyethyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone
CID 115006788
N-ethyl-N-methyl-4-propan-2-ylazepane-1-carboxamide
CID 116656255
propane;1-pyrrolidin-1-ylethanone
CID 143432619

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-amino-1-hydroxyethyl)azepan-1-yl]ethanone?
The IUPAC name of 1-[4-(2-amino-1-hydroxyethyl)azepan-1-yl]ethanone (CID 115006831) is 1-[4-(2-amino-1-hydroxyethyl)azepan-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-amino-1-hydroxyethyl)azepan-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-amino-1-hydroxyethyl)azepan-1-yl]ethanone is CC(=O)N1CCCC(C(O)CN)CC1.
What is the InChIKey of 1-[4-(2-amino-1-hydroxyethyl)azepan-1-yl]ethanone?
The InChIKey is PNPOTWBMWDAMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8(13)12-5-2-3-9(4-6-12)10(14)7-11/h9-10,14H,2-7,11H2,1H3.
What are the key properties of 1-[4-(2-amino-1-hydroxyethyl)azepan-1-yl]ethanone?
1-[4-(2-amino-1-hydroxyethyl)azepan-1-yl]ethanone has a molecular weight of 200.28 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-amino-1-hydroxyethyl)azepan-1-yl]ethanone is sourced from PubChem (CID 115006831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).