1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]propan-1-one

C13H27N3O — CID 43252178

IUPAC1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]propan-1-one
SMILESCCC(=O)N1CCCN(C(CC)CCN)CC1
InChIInChI=1S/C13H27N3O/c1-3-12(6-7-14)15-8-5-9-16(11-10-15)13(17)4-2/h12H,3-11,14H2,1-2H3
InChIKeyYPAZVKHJRCFPIH-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.06
Rot. Bonds5

About 1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]propan-1-one

1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]propan-1-one (PubChem CID 43252178) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]propan-1-one
PubChem CID43252178
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]propan-1-one
SMILESCCC(=O)N1CCCN(C(CC)CCN)CC1
InChIInChI=1S/C13H27N3O/c1-3-12(6-7-14)15-8-5-9-16(11-10-15)13(17)4-2/h12H,3-11,14H2,1-2H3
InChIKeyYPAZVKHJRCFPIH-UHFFFAOYSA-N
XLogP1.06
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]pentan-1-one
CID 43252176
1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]-2-propan-2-yloxyethanone
CID 115949134
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]butan-1-one
CID 43252123
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]ethanone
CID 43367590
tert-butyl 4-(1-aminopentan-3-yl)-1,4-diazepane-1-carboxylate
CID 43252186
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-methoxyethanone
CID 61277957
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-cyclobutylethanone
CID 103161385
[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]-phenylmethanone
CID 43252177
ethyl 4-(1-aminopentan-3-yl)piperazine-1-carboxylate
CID 43252483
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-methylbutan-1-one
CID 43252147
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-3-propoxypropan-1-one
CID 62688236
1-(4-propanoyl-1,4-diazocan-1-yl)propan-1-one
CID 146415893

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]propan-1-one?
The IUPAC name of 1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]propan-1-one (CID 43252178) is 1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]propan-1-one is CCC(=O)N1CCCN(C(CC)CCN)CC1.
What is the InChIKey of 1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]propan-1-one?
The InChIKey is YPAZVKHJRCFPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-3-12(6-7-14)15-8-5-9-16(11-10-15)13(17)4-2/h12H,3-11,14H2,1-2H3.
What are the key properties of 1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]propan-1-one?
1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]propan-1-one has a molecular weight of 241.38 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]propan-1-one is sourced from PubChem (CID 43252178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).