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

C15H31N3O — CID 43252176

IUPAC1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCCN(C(CC)CCN)CC1
InChIInChI=1S/C15H31N3O/c1-3-5-7-15(19)18-11-6-10-17(12-13-18)14(4-2)8-9-16/h14H,3-13,16H2,1-2H3
InChIKeyDUCZPTXGSKTRFB-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.84
Rot. Bonds7

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

1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]pentan-1-one (PubChem CID 43252176) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]pentan-1-one
PubChem CID43252176
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCCN(C(CC)CCN)CC1
InChIInChI=1S/C15H31N3O/c1-3-5-7-15(19)18-11-6-10-17(12-13-18)14(4-2)8-9-16/h14H,3-13,16H2,1-2H3
InChIKeyDUCZPTXGSKTRFB-UHFFFAOYSA-N
XLogP1.84
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.84
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]propan-1-one
CID 43252178
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]butan-1-one
CID 43252123
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]-3-propoxypropan-1-one
CID 62688236
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
3-(4-octyl-1,4-diazepan-1-yl)pentan-1-amine
CID 43253288
1-[4-(2-aminoethyl)-1,4-diazepan-1-yl]pentan-1-one
CID 43251686
ethyl 4-(1-aminopentan-3-yl)piperazine-1-carboxylate
CID 43252483
1-[4,7,10,13,16-penta(pentanoyl)-1,4,7,10,13,16-hexazacyclooctadec-1-yl]pentan-1-one
CID 603333

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]pentan-1-one?
The IUPAC name of 1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]pentan-1-one (CID 43252176) is 1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]pentan-1-one.
What is the SMILES notation for 1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]pentan-1-one?
The canonical SMILES for 1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]pentan-1-one is CCCCC(=O)N1CCCN(C(CC)CCN)CC1.
What is the InChIKey of 1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]pentan-1-one?
The InChIKey is DUCZPTXGSKTRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-3-5-7-15(19)18-11-6-10-17(12-13-18)14(4-2)8-9-16/h14H,3-13,16H2,1-2H3.
What are the key properties of 1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]pentan-1-one?
1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]pentan-1-one has a molecular weight of 269.43 g/mol, XLogP of 1.84, 7 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]pentan-1-one is sourced from PubChem (CID 43252176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).