1-(azepan-1-yl)-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]ethanone

C14H29N3O2 — CID 62843119

IUPAC1-(azepan-1-yl)-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]ethanone
SMILESCOCCN(C)CCNCC(=O)N1CCCCCC1
InChIInChI=1S/C14H29N3O2/c1-16(11-12-19-2)10-7-15-13-14(18)17-8-5-3-4-6-9-17/h15H,3-13H2,1-2H3
InChIKeyVZYVYJHSHPQEMX-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.56
Rot. Bonds8

About 1-(azepan-1-yl)-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]ethanone

1-(azepan-1-yl)-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]ethanone (PubChem CID 62843119) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]ethanone
PubChem CID62843119
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name1-(azepan-1-yl)-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]ethanone
SMILESCOCCN(C)CCNCC(=O)N1CCCCCC1
InChIInChI=1S/C14H29N3O2/c1-16(11-12-19-2)10-7-15-13-14(18)17-8-5-3-4-6-9-17/h15H,3-13H2,1-2H3
InChIKeyVZYVYJHSHPQEMX-UHFFFAOYSA-N
XLogP0.56
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrolidine-1-carboxamide
CID 115605829
1-(azepan-1-yl)-2-[(3-hydroxy-4-methoxybutyl)amino]ethanone
CID 114163624
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]ethanone
CID 62843278
2-(2-methoxyethylamino)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 79281462
1-(4-acetyl-1,4-diazepan-1-yl)-2-(2-methoxyethylamino)ethanone
CID 79281707
1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111929378
2-(2-methoxyethylamino)-1-(1,4-thiazepan-4-yl)ethanone
CID 79282673
1-[2-(2-methoxyethylamino)acetyl]piperidine-3-carboxamide
CID 78913900
3-[2-methoxyethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 62542594
methyl 3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2,2-dimethylpropanoate
CID 79623662
2-(2-aminoethylamino)-1-(azepan-1-yl)ethanone
CID 62140336
2-(2-aminoethylamino)-1-piperidin-1-ylethanone
CID 62140335

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]ethanone (CID 62843119) is 1-(azepan-1-yl)-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]ethanone is COCCN(C)CCNCC(=O)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]ethanone?
The InChIKey is VZYVYJHSHPQEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-16(11-12-19-2)10-7-15-13-14(18)17-8-5-3-4-6-9-17/h15H,3-13H2,1-2H3.
What are the key properties of 1-(azepan-1-yl)-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]ethanone?
1-(azepan-1-yl)-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]ethanone has a molecular weight of 271.40 g/mol, XLogP of 0.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]ethanone is sourced from PubChem (CID 62843119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).