3-[1-(1-aminopropylamino)butylamino]-1-naphthalen-2-ylpropan-1-one

C20H29N3O — CID 89106619

IUPAC3-[1-(1-aminopropylamino)butylamino]-1-naphthalen-2-ylpropan-1-one
SMILESCCCC(NCCC(=O)c1ccc2ccccc2c1)NC(N)CC
InChIInChI=1S/C20H29N3O/c1-3-7-20(23-19(21)4-2)22-13-12-18(24)17-11-10-15-8-5-6-9-16(15)14-17/h5-6,8-11,14,19-20,22-23H,3-4,7,12-13,21H2,1-2H3
InChIKeyQNARWAUWEYDJLQ-UHFFFAOYSA-N
MW327.47 g/mol
LogP3.41
Rot. Bonds10

About 3-[1-(1-aminopropylamino)butylamino]-1-naphthalen-2-ylpropan-1-one

3-[1-(1-aminopropylamino)butylamino]-1-naphthalen-2-ylpropan-1-one (PubChem CID 89106619) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is 3-[1-(1-aminopropylamino)butylamino]-1-naphthalen-2-ylpropan-1-one.

Molecular Properties

Compound Name3-[1-(1-aminopropylamino)butylamino]-1-naphthalen-2-ylpropan-1-one
PubChem CID89106619
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name3-[1-(1-aminopropylamino)butylamino]-1-naphthalen-2-ylpropan-1-one
SMILESCCCC(NCCC(=O)c1ccc2ccccc2c1)NC(N)CC
InChIInChI=1S/C20H29N3O/c1-3-7-20(23-19(21)4-2)22-13-12-18(24)17-11-10-15-8-5-6-9-16(15)14-17/h5-6,8-11,14,19-20,22-23H,3-4,7,12-13,21H2,1-2H3
InChIKeyQNARWAUWEYDJLQ-UHFFFAOYSA-N
XLogP3.41
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-aminopropylamino)butylamino]-1-naphthalen-2-ylpropan-1-one?
The IUPAC name of 3-[1-(1-aminopropylamino)butylamino]-1-naphthalen-2-ylpropan-1-one (CID 89106619) is 3-[1-(1-aminopropylamino)butylamino]-1-naphthalen-2-ylpropan-1-one.
What is the SMILES notation for 3-[1-(1-aminopropylamino)butylamino]-1-naphthalen-2-ylpropan-1-one?
The canonical SMILES for 3-[1-(1-aminopropylamino)butylamino]-1-naphthalen-2-ylpropan-1-one is CCCC(NCCC(=O)c1ccc2ccccc2c1)NC(N)CC.
What is the InChIKey of 3-[1-(1-aminopropylamino)butylamino]-1-naphthalen-2-ylpropan-1-one?
The InChIKey is QNARWAUWEYDJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c1-3-7-20(23-19(21)4-2)22-13-12-18(24)17-11-10-15-8-5-6-9-16(15)14-17/h5-6,8-11,14,19-20,22-23H,3-4,7,12-13,21H2,1-2H3.
What are the key properties of 3-[1-(1-aminopropylamino)butylamino]-1-naphthalen-2-ylpropan-1-one?
3-[1-(1-aminopropylamino)butylamino]-1-naphthalen-2-ylpropan-1-one has a molecular weight of 327.47 g/mol, XLogP of 3.41, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-aminopropylamino)butylamino]-1-naphthalen-2-ylpropan-1-one is sourced from PubChem (CID 89106619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).