1-(azocan-1-yl)-2-[2-hydroxyethyl(propan-2-yl)amino]ethanone

C14H28N2O2 — CID 60696591

IUPAC1-(azocan-1-yl)-2-[2-hydroxyethyl(propan-2-yl)amino]ethanone
SMILESCC(C)N(CCO)CC(=O)N1CCCCCCC1
InChIInChI=1S/C14H28N2O2/c1-13(2)16(10-11-17)12-14(18)15-8-6-4-3-5-7-9-15/h13,17H,3-12H2,1-2H3
InChIKeyKIMKABOGQXGFFB-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.48
Rot. Bonds5

About 1-(azocan-1-yl)-2-[2-hydroxyethyl(propan-2-yl)amino]ethanone

1-(azocan-1-yl)-2-[2-hydroxyethyl(propan-2-yl)amino]ethanone (PubChem CID 60696591) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-(azocan-1-yl)-2-[2-hydroxyethyl(propan-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-(azocan-1-yl)-2-[2-hydroxyethyl(propan-2-yl)amino]ethanone
PubChem CID60696591
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name1-(azocan-1-yl)-2-[2-hydroxyethyl(propan-2-yl)amino]ethanone
SMILESCC(C)N(CCO)CC(=O)N1CCCCCCC1
InChIInChI=1S/C14H28N2O2/c1-13(2)16(10-11-17)12-14(18)15-8-6-4-3-5-7-9-15/h13,17H,3-12H2,1-2H3
InChIKeyKIMKABOGQXGFFB-UHFFFAOYSA-N
XLogP1.48
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-aminopropyl(propan-2-yl)amino]-1-(azepan-1-yl)ethanone
CID 43137448
2-[2-hydroxyethyl(pentan-3-yl)amino]-1-pyrrolidin-1-ylethanone
CID 62016645
4-[(2-oxo-2-pyrrolidin-1-ylethyl)-propan-2-ylamino]butanoic acid
CID 54925850
N-(2-oxo-2-piperidin-1-ylethyl)-N-propan-2-ylacetamide
CID 113158106
3-[(2-oxo-2-pyrrolidin-1-ylethyl)-propan-2-ylamino]propanethioamide
CID 54996516
2-[bis(2-hydroxyethyl)amino]-1-piperidin-1-ylethanone
CID 60686615
ethyl 2-[[2-(azepan-1-yl)-2-oxoethyl]-propan-2-ylamino]acetate
CID 61224895
2-[ethyl(2-hydroxyethyl)amino]-1-piperidin-1-ylethanone
CID 60685851
1-[2-[2-hydroxyethyl(propan-2-yl)amino]acetyl]pyrrolidin-2-one
CID 60691855
2-[3-hydroxypropyl(propan-2-yl)amino]-1-(4-methylpiperidin-1-yl)ethanone
CID 62020113
2-[[2-(azocan-1-yl)-2-oxoethyl]-butan-2-ylamino]acetic acid
CID 60832959
2-[2-aminoethyl(propan-2-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 61348571

Frequently Asked Questions

What is the IUPAC name of 1-(azocan-1-yl)-2-[2-hydroxyethyl(propan-2-yl)amino]ethanone?
The IUPAC name of 1-(azocan-1-yl)-2-[2-hydroxyethyl(propan-2-yl)amino]ethanone (CID 60696591) is 1-(azocan-1-yl)-2-[2-hydroxyethyl(propan-2-yl)amino]ethanone.
What is the SMILES notation for 1-(azocan-1-yl)-2-[2-hydroxyethyl(propan-2-yl)amino]ethanone?
The canonical SMILES for 1-(azocan-1-yl)-2-[2-hydroxyethyl(propan-2-yl)amino]ethanone is CC(C)N(CCO)CC(=O)N1CCCCCCC1.
What is the InChIKey of 1-(azocan-1-yl)-2-[2-hydroxyethyl(propan-2-yl)amino]ethanone?
The InChIKey is KIMKABOGQXGFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-13(2)16(10-11-17)12-14(18)15-8-6-4-3-5-7-9-15/h13,17H,3-12H2,1-2H3.
What are the key properties of 1-(azocan-1-yl)-2-[2-hydroxyethyl(propan-2-yl)amino]ethanone?
1-(azocan-1-yl)-2-[2-hydroxyethyl(propan-2-yl)amino]ethanone has a molecular weight of 256.39 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azocan-1-yl)-2-[2-hydroxyethyl(propan-2-yl)amino]ethanone is sourced from PubChem (CID 60696591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).