1-N,2-N-bis(3-piperidin-1-ylpropyl)acridine-1,2-diamine

C29H41N5 — CID 91527469

IUPAC1-N,2-N-bis(3-piperidin-1-ylpropyl)acridine-1,2-diamine
SMILESc1ccc2nc3ccc(NCCCN4CCCCC4)c(NCCCN4CCCCC4)c3cc2c1
InChIInChI=1S/C29H41N5/c1-5-17-33(18-6-1)21-9-15-30-28-14-13-27-25(23-24-11-3-4-12-26(24)32-27)29(28)31-16-10-22-34-19-7-2-8-20-34/h3-4,11-14,23,30-31H,1-2,5-10,15-22H2
InChIKeyFRDMBSUCUHSKAH-UHFFFAOYSA-N
MW459.68 g/mol
LogP5.96
Rot. Bonds10

About 1-N,2-N-bis(3-piperidin-1-ylpropyl)acridine-1,2-diamine

1-N,2-N-bis(3-piperidin-1-ylpropyl)acridine-1,2-diamine (PubChem CID 91527469) has the molecular formula C29H41N5 and a molecular weight of 459.68 g/mol. Its IUPAC name is 1-N,2-N-bis(3-piperidin-1-ylpropyl)acridine-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-bis(3-piperidin-1-ylpropyl)acridine-1,2-diamine
PubChem CID91527469
Molecular FormulaC29H41N5
Molecular Weight459.68 g/mol
Exact Mass459.34
IUPAC Name1-N,2-N-bis(3-piperidin-1-ylpropyl)acridine-1,2-diamine
SMILESc1ccc2nc3ccc(NCCCN4CCCCC4)c(NCCCN4CCCCC4)c3cc2c1
InChIInChI=1S/C29H41N5/c1-5-17-33(18-6-1)21-9-15-30-28-14-13-27-25(23-24-11-3-4-12-26(24)32-27)29(28)31-16-10-22-34-19-7-2-8-20-34/h3-4,11-14,23,30-31H,1-2,5-10,15-22H2
InChIKeyFRDMBSUCUHSKAH-UHFFFAOYSA-N
XLogP5.96
TPSA43.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.68
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-N,2-N-bis[3-(dimethylamino)propyl]acridine-1,2-diamine
CID 90717674
2-methyl-N-(3-piperidin-1-ylpropyl)quinolin-4-amine
CID 10859009
N-[3-[4-[3-(acridin-9-ylamino)propyl]piperazin-1-yl]propyl]acridin-9-amine;dihydrochloride
CID 21144905
N-(2-piperidin-1-ylethyl)acridin-9-amine
CID 4976664
2-(4-fluorophenyl)-N-(3-piperidin-1-ylpropyl)quinolin-4-amine
CID 73050865
N-(4-pyrrolidin-1-ylbutyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 110432415
4-(azepan-1-yl)-N-(3-pyrrolidin-1-ylpropyl)quinazolin-2-amine
CID 66903021
4-(azocan-1-yl)-N-(3-pyrrolidin-1-ylpropyl)quinazolin-2-amine
CID 66902985
2-chloro-N-(3-pyrrolidin-1-ylpropyl)quinazolin-4-amine
CID 12703170
N-[3-(4-propan-2-ylpiperazin-1-yl)propyl]acridin-9-amine
CID 44531380
N-[4-(4-ethylpiperazin-1-yl)butyl]acridin-9-amine
CID 44531415
N-[4-(4-propylpiperazin-1-yl)butyl]acridin-9-amine;hydrochloride
CID 44531426

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis(3-piperidin-1-ylpropyl)acridine-1,2-diamine?
The IUPAC name of 1-N,2-N-bis(3-piperidin-1-ylpropyl)acridine-1,2-diamine (CID 91527469) is 1-N,2-N-bis(3-piperidin-1-ylpropyl)acridine-1,2-diamine.
What is the SMILES notation for 1-N,2-N-bis(3-piperidin-1-ylpropyl)acridine-1,2-diamine?
The canonical SMILES for 1-N,2-N-bis(3-piperidin-1-ylpropyl)acridine-1,2-diamine is c1ccc2nc3ccc(NCCCN4CCCCC4)c(NCCCN4CCCCC4)c3cc2c1.
What is the InChIKey of 1-N,2-N-bis(3-piperidin-1-ylpropyl)acridine-1,2-diamine?
The InChIKey is FRDMBSUCUHSKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41N5/c1-5-17-33(18-6-1)21-9-15-30-28-14-13-27-25(23-24-11-3-4-12-26(24)32-27)29(28)31-16-10-22-34-19-7-2-8-20-34/h3-4,11-14,23,30-31H,1-2,5-10,15-22H2.
What are the key properties of 1-N,2-N-bis(3-piperidin-1-ylpropyl)acridine-1,2-diamine?
1-N,2-N-bis(3-piperidin-1-ylpropyl)acridine-1,2-diamine has a molecular weight of 459.68 g/mol, XLogP of 5.96, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis(3-piperidin-1-ylpropyl)acridine-1,2-diamine is sourced from PubChem (CID 91527469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).