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

C12H25N3O — CID 60848035

IUPAC2-amino-2-methyl-1-(4-methyl-1,4-diazepan-1-yl)pentan-1-one
SMILESCCCC(C)(N)C(=O)N1CCCN(C)CC1
InChIInChI=1S/C12H25N3O/c1-4-6-12(2,13)11(16)15-8-5-7-14(3)9-10-15/h4-10,13H2,1-3H3
InChIKeyMCZAQVOSFOIWII-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.67
Rot. Bonds3

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

2-amino-2-methyl-1-(4-methyl-1,4-diazepan-1-yl)pentan-1-one (PubChem CID 60848035) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-amino-2-methyl-1-(4-methyl-1,4-diazepan-1-yl)pentan-1-one.

Molecular Properties

Compound Name2-amino-2-methyl-1-(4-methyl-1,4-diazepan-1-yl)pentan-1-one
PubChem CID60848035
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-amino-2-methyl-1-(4-methyl-1,4-diazepan-1-yl)pentan-1-one
SMILESCCCC(C)(N)C(=O)N1CCCN(C)CC1
InChIInChI=1S/C12H25N3O/c1-4-6-12(2,13)11(16)15-8-5-7-14(3)9-10-15/h4-10,13H2,1-3H3
InChIKeyMCZAQVOSFOIWII-UHFFFAOYSA-N
XLogP0.67
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-1-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]pentan-1-one
CID 119738915
2-amino-1-(4-ethylpiperazin-1-yl)-2-methylpentan-1-one;dihydrochloride
CID 119826659
2-amino-1-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-2-methylpentan-1-one;hydrochloride
CID 119710551
2-amino-2-methyl-1-(4-methylsulfonylpiperazin-1-yl)pentan-1-one
CID 60940159
2-amino-1-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylpentan-1-one
CID 119838581
2-amino-2-methyl-1-(4-propylsulfonylpiperazin-1-yl)pentan-1-one
CID 60963266
2-amino-1-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-2-methylpentan-1-one;hydrochloride
CID 119747881
2-amino-1-(4-tert-butylazepan-1-yl)-2-methylpentan-1-one;hydrochloride
CID 119787781
2-amino-1-(4-ethylazepan-1-yl)-2-methylpentan-1-one;hydrochloride
CID 119794919
2-amino-2-methyl-1-(3-methylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 119671353
2-amino-1-(3,4-dimethylpiperazin-1-yl)-2-methylpentan-1-one
CID 63634380
2-amino-1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-2-methylpentan-1-one
CID 119704945

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-1-(4-methyl-1,4-diazepan-1-yl)pentan-1-one?
The IUPAC name of 2-amino-2-methyl-1-(4-methyl-1,4-diazepan-1-yl)pentan-1-one (CID 60848035) is 2-amino-2-methyl-1-(4-methyl-1,4-diazepan-1-yl)pentan-1-one.
What is the SMILES notation for 2-amino-2-methyl-1-(4-methyl-1,4-diazepan-1-yl)pentan-1-one?
The canonical SMILES for 2-amino-2-methyl-1-(4-methyl-1,4-diazepan-1-yl)pentan-1-one is CCCC(C)(N)C(=O)N1CCCN(C)CC1.
What is the InChIKey of 2-amino-2-methyl-1-(4-methyl-1,4-diazepan-1-yl)pentan-1-one?
The InChIKey is MCZAQVOSFOIWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-4-6-12(2,13)11(16)15-8-5-7-14(3)9-10-15/h4-10,13H2,1-3H3.
What are the key properties of 2-amino-2-methyl-1-(4-methyl-1,4-diazepan-1-yl)pentan-1-one?
2-amino-2-methyl-1-(4-methyl-1,4-diazepan-1-yl)pentan-1-one has a molecular weight of 227.35 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-1-(4-methyl-1,4-diazepan-1-yl)pentan-1-one is sourced from PubChem (CID 60848035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).