2-(1,4-diazepan-1-yl)-N-(2-methylbutan-2-yl)acetamide;hydrochloride

C12H26ClN3O — CID 119906765

IUPAC2-(1,4-diazepan-1-yl)-N-(2-methylbutan-2-yl)acetamide;hydrochloride
SMILESCCC(C)(C)NC(=O)CN1CCCNCC1.Cl
InChIInChI=1S/C12H25N3O.ClH/c1-4-12(2,3)14-11(16)10-15-8-5-6-13-7-9-15;/h13H,4-10H2,1-3H3,(H,14,16);1H
InChIKeyIHYQAJBHPOFIEU-UHFFFAOYSA-N
MW263.81 g/mol
LogP1.01
Rot. Bonds4

About 2-(1,4-diazepan-1-yl)-N-(2-methylbutan-2-yl)acetamide;hydrochloride

2-(1,4-diazepan-1-yl)-N-(2-methylbutan-2-yl)acetamide;hydrochloride (PubChem CID 119906765) has the molecular formula C12H26ClN3O and a molecular weight of 263.81 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-(2-methylbutan-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-(2-methylbutan-2-yl)acetamide;hydrochloride
PubChem CID119906765
Molecular FormulaC12H26ClN3O
Molecular Weight263.81 g/mol
Exact Mass263.18
IUPAC Name2-(1,4-diazepan-1-yl)-N-(2-methylbutan-2-yl)acetamide;hydrochloride
SMILESCCC(C)(C)NC(=O)CN1CCCNCC1.Cl
InChIInChI=1S/C12H25N3O.ClH/c1-4-12(2,3)14-11(16)10-15-8-5-6-13-7-9-15;/h13H,4-10H2,1-3H3,(H,14,16);1H
InChIKeyIHYQAJBHPOFIEU-UHFFFAOYSA-N
XLogP1.01
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.81
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylbutan-2-yl)-2-[4-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 30989737
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 55204264
2-(1,4-diazepan-1-yl)acetohydrazide
CID 63577135
2-(1,4-diazepan-1-yl)-N-(propylcarbamoyl)acetamide;hydrochloride
CID 119906348
2-(4-hydroxy-4-methylazepan-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 107408042
2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 63101713
2-(1,4-diazepan-1-yl)-N-(3-methylbutan-2-yl)acetamide;hydrochloride
CID 119906862
2-pyrrolidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)acetamide;hydrochloride
CID 24845344
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2-methylbutan-2-yl)acetamide
CID 60916171
N-(2-methylundecan-2-yl)-2-piperidin-1-ylacetamide;hydrochloride
CID 3066165
2-(3-hydroxypiperidin-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 60672191
N-(2-methylheptan-2-yl)-2-piperidin-1-ylacetamide
CID 3066164

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-(2-methylbutan-2-yl)acetamide;hydrochloride?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-(2-methylbutan-2-yl)acetamide;hydrochloride (CID 119906765) is 2-(1,4-diazepan-1-yl)-N-(2-methylbutan-2-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-(2-methylbutan-2-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-(2-methylbutan-2-yl)acetamide;hydrochloride is CCC(C)(C)NC(=O)CN1CCCNCC1.Cl.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-(2-methylbutan-2-yl)acetamide;hydrochloride?
The InChIKey is IHYQAJBHPOFIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O.ClH/c1-4-12(2,3)14-11(16)10-15-8-5-6-13-7-9-15;/h13H,4-10H2,1-3H3,(H,14,16);1H.
What are the key properties of 2-(1,4-diazepan-1-yl)-N-(2-methylbutan-2-yl)acetamide;hydrochloride?
2-(1,4-diazepan-1-yl)-N-(2-methylbutan-2-yl)acetamide;hydrochloride has a molecular weight of 263.81 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-N-(2-methylbutan-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 119906765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).