4-(6-amino-2-methylheptanoyl)-1-methyl-1,4-diazepan-2-one

C14H27N3O2 — CID 102888932

IUPAC4-(6-amino-2-methylheptanoyl)-1-methyl-1,4-diazepan-2-one
SMILESCC(N)CCCC(C)C(=O)N1CCCN(C)C(=O)C1
InChIInChI=1S/C14H27N3O2/c1-11(6-4-7-12(2)15)14(19)17-9-5-8-16(3)13(18)10-17/h11-12H,4-10,15H2,1-3H3
InChIKeyNBASIMOESHVLSC-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.83
Rot. Bonds5

About 4-(6-amino-2-methylheptanoyl)-1-methyl-1,4-diazepan-2-one

4-(6-amino-2-methylheptanoyl)-1-methyl-1,4-diazepan-2-one (PubChem CID 102888932) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-(6-amino-2-methylheptanoyl)-1-methyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(6-amino-2-methylheptanoyl)-1-methyl-1,4-diazepan-2-one
PubChem CID102888932
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name4-(6-amino-2-methylheptanoyl)-1-methyl-1,4-diazepan-2-one
SMILESCC(N)CCCC(C)C(=O)N1CCCN(C)C(=O)C1
InChIInChI=1S/C14H27N3O2/c1-11(6-4-7-12(2)15)14(19)17-9-5-8-16(3)13(18)10-17/h11-12H,4-10,15H2,1-3H3
InChIKeyNBASIMOESHVLSC-UHFFFAOYSA-N
XLogP0.83
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-amino-4-methylsulfonylbutanoyl)-1-methyl-1,4-diazepan-2-one
CID 102888795
ethyl 4-methyl-3-oxo-1,4-diazepane-1-carboxylate
CID 102892971
4-(2-amino-4-phenylbutanoyl)-1-methyl-1,4-diazepan-2-one
CID 102888793
6-amino-2-methyl-1-piperazin-1-ylheptan-1-one
CID 65292866
2-[4-(6-amino-2-methylheptanoyl)-1,4-diazepan-1-yl]acetamide
CID 65292332
4-(2-amino-2-phenylacetyl)-1-methyl-1,4-diazepan-2-one
CID 102888815
4-(2-amino-3-phenylpropanoyl)-1-methyl-1,4-diazepan-2-one
CID 102888989
6-amino-1-(4-ethylpiperazin-1-yl)-2-methylheptan-1-one
CID 65292796
4-(2-aminopentanoyl)-1-methylpiperazin-2-one
CID 64681612
6-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methylheptan-1-one
CID 107217224
6-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylheptan-1-one
CID 65290352
1-methyl-4-(pyrrolidine-1-carbonyl)-1,4-diazepan-2-one
CID 102847763

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-2-methylheptanoyl)-1-methyl-1,4-diazepan-2-one?
The IUPAC name of 4-(6-amino-2-methylheptanoyl)-1-methyl-1,4-diazepan-2-one (CID 102888932) is 4-(6-amino-2-methylheptanoyl)-1-methyl-1,4-diazepan-2-one.
What is the SMILES notation for 4-(6-amino-2-methylheptanoyl)-1-methyl-1,4-diazepan-2-one?
The canonical SMILES for 4-(6-amino-2-methylheptanoyl)-1-methyl-1,4-diazepan-2-one is CC(N)CCCC(C)C(=O)N1CCCN(C)C(=O)C1.
What is the InChIKey of 4-(6-amino-2-methylheptanoyl)-1-methyl-1,4-diazepan-2-one?
The InChIKey is NBASIMOESHVLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-11(6-4-7-12(2)15)14(19)17-9-5-8-16(3)13(18)10-17/h11-12H,4-10,15H2,1-3H3.
What are the key properties of 4-(6-amino-2-methylheptanoyl)-1-methyl-1,4-diazepan-2-one?
4-(6-amino-2-methylheptanoyl)-1-methyl-1,4-diazepan-2-one has a molecular weight of 269.39 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-2-methylheptanoyl)-1-methyl-1,4-diazepan-2-one is sourced from PubChem (CID 102888932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).