1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]-2-propan-2-yloxyethanone

C15H31N3O2 — CID 115949134

IUPAC1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]-2-propan-2-yloxyethanone
SMILESCCC(CCN)N1CCCN(C(=O)COC(C)C)CC1
InChIInChI=1S/C15H31N3O2/c1-4-14(6-7-16)17-8-5-9-18(11-10-17)15(19)12-20-13(2)3/h13-14H,4-12,16H2,1-3H3
InChIKeyAVEYLAPMAOPLRI-UHFFFAOYSA-N
MW285.43 g/mol
LogP1.07
Rot. Bonds7

About 1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]-2-propan-2-yloxyethanone

1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]-2-propan-2-yloxyethanone (PubChem CID 115949134) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]-2-propan-2-yloxyethanone.

Molecular Properties

Compound Name1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]-2-propan-2-yloxyethanone
PubChem CID115949134
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]-2-propan-2-yloxyethanone
SMILESCCC(CCN)N1CCCN(C(=O)COC(C)C)CC1
InChIInChI=1S/C15H31N3O2/c1-4-14(6-7-16)17-8-5-9-18(11-10-17)15(19)12-20-13(2)3/h13-14H,4-12,16H2,1-3H3
InChIKeyAVEYLAPMAOPLRI-UHFFFAOYSA-N
XLogP1.07
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]propan-1-one
CID 43252178
1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]pentan-1-one
CID 43252176
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-methoxyethanone
CID 61277957
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]butan-1-one
CID 43252123
tert-butyl 4-(1-aminopentan-3-yl)-1,4-diazepane-1-carboxylate
CID 43252186
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]ethanone
CID 43367590
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-3-propoxypropan-1-one
CID 62688236
ethyl 4-(1-aminopentan-3-yl)piperazine-1-carboxylate
CID 43252483
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-cyclobutylethanone
CID 103161385
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-methylbutan-1-one
CID 43252147
[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]-phenylmethanone
CID 43252177
1-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-2-propan-2-yloxyethanone
CID 112601684

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]-2-propan-2-yloxyethanone?
The IUPAC name of 1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]-2-propan-2-yloxyethanone (CID 115949134) is 1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]-2-propan-2-yloxyethanone.
What is the SMILES notation for 1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]-2-propan-2-yloxyethanone?
The canonical SMILES for 1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]-2-propan-2-yloxyethanone is CCC(CCN)N1CCCN(C(=O)COC(C)C)CC1.
What is the InChIKey of 1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]-2-propan-2-yloxyethanone?
The InChIKey is AVEYLAPMAOPLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-4-14(6-7-16)17-8-5-9-18(11-10-17)15(19)12-20-13(2)3/h13-14H,4-12,16H2,1-3H3.
What are the key properties of 1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]-2-propan-2-yloxyethanone?
1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]-2-propan-2-yloxyethanone has a molecular weight of 285.43 g/mol, XLogP of 1.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]-2-propan-2-yloxyethanone is sourced from PubChem (CID 115949134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).