2-[2-[bis(2-aminoethyl)amino]ethyl]phenalen-1-one

C19H23N3O — CID 146497622

IUPAC2-[2-[bis(2-aminoethyl)amino]ethyl]phenalen-1-one
SMILESNCCN(CCN)CCC1=Cc2cccc3cccc(c23)C1=O
InChIInChI=1S/C19H23N3O/c20-8-11-22(12-9-21)10-7-16-13-15-5-1-3-14-4-2-6-17(18(14)15)19(16)23/h1-6,13H,7-12,20-21H2
InChIKeyMQBSQFLJHKRVHD-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.03
Rot. Bonds7

About 2-[2-[bis(2-aminoethyl)amino]ethyl]phenalen-1-one

2-[2-[bis(2-aminoethyl)amino]ethyl]phenalen-1-one (PubChem CID 146497622) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-[2-[bis(2-aminoethyl)amino]ethyl]phenalen-1-one.

Molecular Properties

Compound Name2-[2-[bis(2-aminoethyl)amino]ethyl]phenalen-1-one
PubChem CID146497622
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name2-[2-[bis(2-aminoethyl)amino]ethyl]phenalen-1-one
SMILESNCCN(CCN)CCC1=Cc2cccc3cccc(c23)C1=O
InChIInChI=1S/C19H23N3O/c20-8-11-22(12-9-21)10-7-16-13-15-5-1-3-14-4-2-6-17(18(14)15)19(16)23/h1-6,13H,7-12,20-21H2
InChIKeyMQBSQFLJHKRVHD-UHFFFAOYSA-N
XLogP2.03
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-aminophenalen-1-one
CID 13013288
2-methylphenalen-1-one
CID 15695099
bis(2-hydroxyethyl)-[(1-oxophenalen-2-yl)methyl]azanium
CID 140633638
2-(piperazine-1,4-diium-1-ylmethyl)phenalen-1-one
CID 140633643
methyl-[(1-oxophenalen-2-yl)methyl]-dipropylazanium chloride
CID 169427324
dimethyl-[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]-[(1-oxophenalen-2-yl)methyl]azanium;ethane
CID 142428134
2-[[4-(hydroxymethyl)phenoxy]methyl]phenalen-1-one
CID 142428167
dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]-[(1-oxophenalen-2-yl)methyl]azanium chloride
CID 159355674
2-(pent-4-enoxymethyl)phenalen-1-one
CID 142428102
benzo[a]phenalen-7-one;2-[bis(2-hydroxyethyl)amino]ethanol
CID 70501506
chloromethane;2-[[4-(hydroxymethyl)pyridin-1-ium-1-yl]methyl]phenalen-1-one
CID 142428100
diethoxy-[ethoxy-[(1-oxophenalen-2-yl)methoxy]methyl]sulfanium
CID 142428092

Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis(2-aminoethyl)amino]ethyl]phenalen-1-one?
The IUPAC name of 2-[2-[bis(2-aminoethyl)amino]ethyl]phenalen-1-one (CID 146497622) is 2-[2-[bis(2-aminoethyl)amino]ethyl]phenalen-1-one.
What is the SMILES notation for 2-[2-[bis(2-aminoethyl)amino]ethyl]phenalen-1-one?
The canonical SMILES for 2-[2-[bis(2-aminoethyl)amino]ethyl]phenalen-1-one is NCCN(CCN)CCC1=Cc2cccc3cccc(c23)C1=O.
What is the InChIKey of 2-[2-[bis(2-aminoethyl)amino]ethyl]phenalen-1-one?
The InChIKey is MQBSQFLJHKRVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c20-8-11-22(12-9-21)10-7-16-13-15-5-1-3-14-4-2-6-17(18(14)15)19(16)23/h1-6,13H,7-12,20-21H2.
What are the key properties of 2-[2-[bis(2-aminoethyl)amino]ethyl]phenalen-1-one?
2-[2-[bis(2-aminoethyl)amino]ethyl]phenalen-1-one has a molecular weight of 309.41 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis(2-aminoethyl)amino]ethyl]phenalen-1-one is sourced from PubChem (CID 146497622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).