4-(1-amino-2-methylpropan-2-yl)-1-methyl-1,4-diazepan-2-one

C10H21N3O — CID 102888479

IUPAC4-(1-amino-2-methylpropan-2-yl)-1-methyl-1,4-diazepan-2-one
SMILESCN1CCCN(C(C)(C)CN)CC1=O
InChIInChI=1S/C10H21N3O/c1-10(2,8-11)13-6-4-5-12(3)9(14)7-13/h4-8,11H2,1-3H3
InChIKeyWUBHILMWLFDTTF-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.11
Rot. Bonds2

About 4-(1-amino-2-methylpropan-2-yl)-1-methyl-1,4-diazepan-2-one

4-(1-amino-2-methylpropan-2-yl)-1-methyl-1,4-diazepan-2-one (PubChem CID 102888479) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 4-(1-amino-2-methylpropan-2-yl)-1-methyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(1-amino-2-methylpropan-2-yl)-1-methyl-1,4-diazepan-2-one
PubChem CID102888479
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name4-(1-amino-2-methylpropan-2-yl)-1-methyl-1,4-diazepan-2-one
SMILESCN1CCCN(C(C)(C)CN)CC1=O
InChIInChI=1S/C10H21N3O/c1-10(2,8-11)13-6-4-5-12(3)9(14)7-13/h4-8,11H2,1-3H3
InChIKeyWUBHILMWLFDTTF-UHFFFAOYSA-N
XLogP-0.11
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-2-methylpropan-2-yl)-1-methyl-1,4-diazepan-2-one?
The IUPAC name of 4-(1-amino-2-methylpropan-2-yl)-1-methyl-1,4-diazepan-2-one (CID 102888479) is 4-(1-amino-2-methylpropan-2-yl)-1-methyl-1,4-diazepan-2-one.
What is the SMILES notation for 4-(1-amino-2-methylpropan-2-yl)-1-methyl-1,4-diazepan-2-one?
The canonical SMILES for 4-(1-amino-2-methylpropan-2-yl)-1-methyl-1,4-diazepan-2-one is CN1CCCN(C(C)(C)CN)CC1=O.
What is the InChIKey of 4-(1-amino-2-methylpropan-2-yl)-1-methyl-1,4-diazepan-2-one?
The InChIKey is WUBHILMWLFDTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-10(2,8-11)13-6-4-5-12(3)9(14)7-13/h4-8,11H2,1-3H3.
What are the key properties of 4-(1-amino-2-methylpropan-2-yl)-1-methyl-1,4-diazepan-2-one?
4-(1-amino-2-methylpropan-2-yl)-1-methyl-1,4-diazepan-2-one has a molecular weight of 199.30 g/mol, XLogP of -0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-2-methylpropan-2-yl)-1-methyl-1,4-diazepan-2-one is sourced from PubChem (CID 102888479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).