2-(1,4-diazepan-1-yl)-N-(3-methylbutan-2-yl)acetamide;hydrochloride

C12H26ClN3O — CID 119906862

IUPAC2-(1,4-diazepan-1-yl)-N-(3-methylbutan-2-yl)acetamide;hydrochloride
SMILESCC(C)C(C)NC(=O)CN1CCCNCC1.Cl
InChIInChI=1S/C12H25N3O.ClH/c1-10(2)11(3)14-12(16)9-15-7-4-5-13-6-8-15;/h10-11,13H,4-9H2,1-3H3,(H,14,16);1H
InChIKeyTZUYVAZTAFKHGJ-UHFFFAOYSA-N
MW263.81 g/mol
LogP0.86
Rot. Bonds4

About 2-(1,4-diazepan-1-yl)-N-(3-methylbutan-2-yl)acetamide;hydrochloride

2-(1,4-diazepan-1-yl)-N-(3-methylbutan-2-yl)acetamide;hydrochloride (PubChem CID 119906862) 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-(3-methylbutan-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-(3-methylbutan-2-yl)acetamide;hydrochloride
PubChem CID119906862
Molecular FormulaC12H26ClN3O
Molecular Weight263.81 g/mol
Exact Mass263.18
IUPAC Name2-(1,4-diazepan-1-yl)-N-(3-methylbutan-2-yl)acetamide;hydrochloride
SMILESCC(C)C(C)NC(=O)CN1CCCNCC1.Cl
InChIInChI=1S/C12H25N3O.ClH/c1-10(2)11(3)14-12(16)9-15-7-4-5-13-6-8-15;/h10-11,13H,4-9H2,1-3H3,(H,14,16);1H
InChIKeyTZUYVAZTAFKHGJ-UHFFFAOYSA-N
XLogP0.86
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 ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 86908322
methyl 2-[[2-(1,4-diazepan-1-yl)acetyl]amino]-3-methylbutanoate
CID 62839439
5-[[2-(1,4-diazepan-1-yl)acetyl]amino]hexanoic acid
CID 82846036
N-(1-cyclohexylethyl)-2-(1,4-diazepan-1-yl)acetamide
CID 55121307
N-[(1R)-1-cyclohexylethyl]-2-(1,4-diazepan-1-yl)acetamide
CID 81386070
2-(1,4-diazepan-1-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 81356922
N-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]ethyl]-2-methylpropanamide
CID 62839250
2-[(2-piperazin-1-ylacetyl)amino]propanoic acid
CID 61157899
4-[[2-(1,4-diazepan-1-yl)acetyl]amino]-3-methylbutanoic acid
CID 81073099
2-(1,4-diazepan-1-yl)acetohydrazide
CID 63577135
3-[[2-(1,4-diazepan-1-yl)acetyl]amino]-2-methylpropanoic acid
CID 62833118
2-(1,4-diazepan-1-yl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65035920

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-(3-methylbutan-2-yl)acetamide;hydrochloride?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-(3-methylbutan-2-yl)acetamide;hydrochloride (CID 119906862) is 2-(1,4-diazepan-1-yl)-N-(3-methylbutan-2-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-(3-methylbutan-2-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-(3-methylbutan-2-yl)acetamide;hydrochloride is CC(C)C(C)NC(=O)CN1CCCNCC1.Cl.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-(3-methylbutan-2-yl)acetamide;hydrochloride?
The InChIKey is TZUYVAZTAFKHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O.ClH/c1-10(2)11(3)14-12(16)9-15-7-4-5-13-6-8-15;/h10-11,13H,4-9H2,1-3H3,(H,14,16);1H.
What are the key properties of 2-(1,4-diazepan-1-yl)-N-(3-methylbutan-2-yl)acetamide;hydrochloride?
2-(1,4-diazepan-1-yl)-N-(3-methylbutan-2-yl)acetamide;hydrochloride has a molecular weight of 263.81 g/mol, XLogP of 0.86, 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-(3-methylbutan-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 119906862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).