N'-acridin-1-yl-N'-benzylpentane-1,5-diamine

C25H27N3 — CID 174887657

IUPACN'-acridin-1-yl-N'-benzylpentane-1,5-diamine
SMILESNCCCCCN(Cc1ccccc1)c1cccc2nc3ccccc3cc12
InChIInChI=1S/C25H27N3/c26-16-7-2-8-17-28(19-20-10-3-1-4-11-20)25-15-9-14-24-22(25)18-21-12-5-6-13-23(21)27-24/h1,3-6,9-15,18H,2,7-8,16-17,19,26H2
InChIKeyGGTAZZCRDHYCHV-UHFFFAOYSA-N
MW369.51 g/mol
LogP5.52
Rot. Bonds8

About N'-acridin-1-yl-N'-benzylpentane-1,5-diamine

N'-acridin-1-yl-N'-benzylpentane-1,5-diamine (PubChem CID 174887657) has the molecular formula C25H27N3 and a molecular weight of 369.51 g/mol. Its IUPAC name is N'-acridin-1-yl-N'-benzylpentane-1,5-diamine.

Molecular Properties

Compound NameN'-acridin-1-yl-N'-benzylpentane-1,5-diamine
PubChem CID174887657
Molecular FormulaC25H27N3
Molecular Weight369.51 g/mol
Exact Mass369.22
IUPAC NameN'-acridin-1-yl-N'-benzylpentane-1,5-diamine
SMILESNCCCCCN(Cc1ccccc1)c1cccc2nc3ccccc3cc12
InChIInChI=1S/C25H27N3/c26-16-7-2-8-17-28(19-20-10-3-1-4-11-20)25-15-9-14-24-22(25)18-21-12-5-6-13-23(21)27-24/h1,3-6,9-15,18H,2,7-8,16-17,19,26H2
InChIKeyGGTAZZCRDHYCHV-UHFFFAOYSA-N
XLogP5.52
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.51
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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CID 21107283
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N'-benzyl-N'-(5-chloro-3-fluoro-2-pyridinyl)propane-1,3-diamine
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N'-benzyl-N'-(2-methyl-4-pyridinyl)propane-1,3-diamine
CID 107368407
N,N'-bis(3-aminopropyl)-N'-naphthalen-1-ylbutane-1,4-diamine
CID 46896769
N-benzyl-N-(5-phenylpentyl)aniline
CID 18790289
N'-benzyl-N'-propan-2-ylheptane-1,7-diamine
CID 28597865
[2-[6-(N-benzyl-2-boronoanilino)hexyl-(pyren-1-ylmethyl)amino]phenyl]boronic acid
CID 101219962
2-[3-aminopropyl(benzyl)amino]-5-fluorobenzonitrile
CID 107368100
N'-(2-methoxyphenyl)-N'-[(3-methylphenyl)methyl]propane-1,3-diamine
CID 28770871

Frequently Asked Questions

What is the IUPAC name of N'-acridin-1-yl-N'-benzylpentane-1,5-diamine?
The IUPAC name of N'-acridin-1-yl-N'-benzylpentane-1,5-diamine (CID 174887657) is N'-acridin-1-yl-N'-benzylpentane-1,5-diamine.
What is the SMILES notation for N'-acridin-1-yl-N'-benzylpentane-1,5-diamine?
The canonical SMILES for N'-acridin-1-yl-N'-benzylpentane-1,5-diamine is NCCCCCN(Cc1ccccc1)c1cccc2nc3ccccc3cc12.
What is the InChIKey of N'-acridin-1-yl-N'-benzylpentane-1,5-diamine?
The InChIKey is GGTAZZCRDHYCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3/c26-16-7-2-8-17-28(19-20-10-3-1-4-11-20)25-15-9-14-24-22(25)18-21-12-5-6-13-23(21)27-24/h1,3-6,9-15,18H,2,7-8,16-17,19,26H2.
What are the key properties of N'-acridin-1-yl-N'-benzylpentane-1,5-diamine?
N'-acridin-1-yl-N'-benzylpentane-1,5-diamine has a molecular weight of 369.51 g/mol, XLogP of 5.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acridin-1-yl-N'-benzylpentane-1,5-diamine is sourced from PubChem (CID 174887657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).