N-[3-(4-propan-2-ylpiperazin-1-yl)propyl]acridin-9-amine

C23H30N4 — CID 44531380

IUPACN-[3-(4-propan-2-ylpiperazin-1-yl)propyl]acridin-9-amine
SMILESCC(C)N1CCN(CCCNc2c3ccccc3nc3ccccc23)CC1
InChIInChI=1S/C23H30N4/c1-18(2)27-16-14-26(15-17-27)13-7-12-24-23-19-8-3-5-10-21(19)25-22-11-6-4-9-20(22)23/h3-6,8-11,18H,7,12-17H2,1-2H3,(H,24,25)
InChIKeyADZUEQKETJENKP-UHFFFAOYSA-N
MW362.52 g/mol
LogP4.22
Rot. Bonds6

About N-[3-(4-propan-2-ylpiperazin-1-yl)propyl]acridin-9-amine

N-[3-(4-propan-2-ylpiperazin-1-yl)propyl]acridin-9-amine (PubChem CID 44531380) has the molecular formula C23H30N4 and a molecular weight of 362.52 g/mol. Its IUPAC name is N-[3-(4-propan-2-ylpiperazin-1-yl)propyl]acridin-9-amine.

Molecular Properties

Compound NameN-[3-(4-propan-2-ylpiperazin-1-yl)propyl]acridin-9-amine
PubChem CID44531380
Molecular FormulaC23H30N4
Molecular Weight362.52 g/mol
Exact Mass362.25
IUPAC NameN-[3-(4-propan-2-ylpiperazin-1-yl)propyl]acridin-9-amine
SMILESCC(C)N1CCN(CCCNc2c3ccccc3nc3ccccc23)CC1
InChIInChI=1S/C23H30N4/c1-18(2)27-16-14-26(15-17-27)13-7-12-24-23-19-8-3-5-10-21(19)25-22-11-6-4-9-20(22)23/h3-6,8-11,18H,7,12-17H2,1-2H3,(H,24,25)
InChIKeyADZUEQKETJENKP-UHFFFAOYSA-N
XLogP4.22
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-propan-2-ylpiperazin-1-yl)butyl]acridin-9-amine
CID 44531421
N-[3-[4-[3-(acridin-9-ylamino)propyl]piperazin-1-yl]propyl]acridin-9-amine;dihydrochloride
CID 21144905
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
4-methyl-N-[3-[4-[3-[(4-methylacridin-9-yl)amino]propyl]piperazin-1-yl]propyl]acridin-9-amine
CID 71653557
N-(2-piperidin-1-ylethyl)acridin-9-amine
CID 4976664
N,N'-di(acridin-9-yl)hexadecane-1,16-diamine;dihydrochloride
CID 131881606
4-[3-[4-[3-(acridin-9-ylamino)propyl]piperazin-1-yl]-1-methoxypropyl]acridin-9-amine
CID 139214307
N-(4-pyrrolidin-1-ylbutyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 110432415
1-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidin-4-ol
CID 67618555
1-N,2-N-bis(3-piperidin-1-ylpropyl)acridine-1,2-diamine
CID 91527469
4-[[2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-yl]amino]butanenitrile
CID 130345769

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-propan-2-ylpiperazin-1-yl)propyl]acridin-9-amine?
The IUPAC name of N-[3-(4-propan-2-ylpiperazin-1-yl)propyl]acridin-9-amine (CID 44531380) is N-[3-(4-propan-2-ylpiperazin-1-yl)propyl]acridin-9-amine.
What is the SMILES notation for N-[3-(4-propan-2-ylpiperazin-1-yl)propyl]acridin-9-amine?
The canonical SMILES for N-[3-(4-propan-2-ylpiperazin-1-yl)propyl]acridin-9-amine is CC(C)N1CCN(CCCNc2c3ccccc3nc3ccccc23)CC1.
What is the InChIKey of N-[3-(4-propan-2-ylpiperazin-1-yl)propyl]acridin-9-amine?
The InChIKey is ADZUEQKETJENKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4/c1-18(2)27-16-14-26(15-17-27)13-7-12-24-23-19-8-3-5-10-21(19)25-22-11-6-4-9-20(22)23/h3-6,8-11,18H,7,12-17H2,1-2H3,(H,24,25).
What are the key properties of N-[3-(4-propan-2-ylpiperazin-1-yl)propyl]acridin-9-amine?
N-[3-(4-propan-2-ylpiperazin-1-yl)propyl]acridin-9-amine has a molecular weight of 362.52 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-propan-2-ylpiperazin-1-yl)propyl]acridin-9-amine is sourced from PubChem (CID 44531380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).