N,N'-bis(2,3-dihydroacridin-9-yl)heptane-1,7-diamine

C33H36N4 — CID 122199223

IUPACN,N'-bis(2,3-dihydroacridin-9-yl)heptane-1,7-diamine
SMILESC1=c2nc3ccccc3c(NCCCCCCCNc3c4c(nc5ccccc35)=CCCC=4)c2=CCC1
InChIInChI=1S/C33H36N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14-21,34-35H,1-3,5,7,9,11-13,22-23H2
InChIKeyHAVPPTADCBBPOD-UHFFFAOYSA-N
MW488.68 g/mol
LogP4.97
Rot. Bonds10

About N,N'-bis(2,3-dihydroacridin-9-yl)heptane-1,7-diamine

N,N'-bis(2,3-dihydroacridin-9-yl)heptane-1,7-diamine (PubChem CID 122199223) has the molecular formula C33H36N4 and a molecular weight of 488.68 g/mol. Its IUPAC name is N,N'-bis(2,3-dihydroacridin-9-yl)heptane-1,7-diamine.

Molecular Properties

Compound NameN,N'-bis(2,3-dihydroacridin-9-yl)heptane-1,7-diamine
PubChem CID122199223
Molecular FormulaC33H36N4
Molecular Weight488.68 g/mol
Exact Mass488.29
IUPAC NameN,N'-bis(2,3-dihydroacridin-9-yl)heptane-1,7-diamine
SMILESC1=c2nc3ccccc3c(NCCCCCCCNc3c4c(nc5ccccc35)=CCCC=4)c2=CCC1
InChIInChI=1S/C33H36N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14-21,34-35H,1-3,5,7,9,11-13,22-23H2
InChIKeyHAVPPTADCBBPOD-UHFFFAOYSA-N
XLogP4.97
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.68
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Hexahydro-benzo[b][1,7]phenanthroline
CID 129756946
N-[(2Z,3E,5Z)-7-imino-2-[(E)-3-(4-oct-1-en-3-yl-2,3-dihydronaphthalen-1-yl)but-2-enylidene]-7-(1,2,3,4-tetrahydropyridin-4-yl)hepta-3,5-dienyl]-4,4a-dihydronaphthalen-1-amine
CID 88933653
10,11,13,14,16,18,20,23-Octamethyl-1,22,31-triazanonacyclo[15.11.1.12,26.14,8.05,29.06,15.07,12.019,28.022,27]hentriaconta-2(30),3,5(29),6,8(31),9,11,13,15,17,19(28),20,24,26-tetradecaen-24-amine
CID 89282091
N'-[4-[(6-cyclohexa-1,5-dien-1-ylimino-4-imino-3-methylcyclohex-2-en-1-ylidene)amino]-6-methylcyclohexa-2,4-dien-1-yl]hexane-1,6-diamine
CID 123314455
ethane;(E)-N-[3-[7-[1-[[(E)-3-(5-ethenyl-2-methylidene-3,4-dihydro-1H-pyridin-6-yl)-2-methylprop-2-enyl]amino]ethenyl]-6-methyl-2H-1,4-diazepin-5-yl]prop-1-en-2-yl]-2-methylbut-2-en-1-amine;(Z)-oct-6-en-1-amine
CID 143345098
N'-(2,2,6,6-tetramethylacridin-4-yl)hexane-1,6-diamine
CID 150809900
2-methyl-1-N,2-N-bis(2,2,6,6-tetramethylacridin-4-yl)propane-1,2-diamine
CID 152154147
N,N'-bis(2,2,6,6-tetramethylacridin-4-yl)hexane-1,6-diamine
CID 154019367
N-[[2-(propylaminomethyl)-7,7a-dihydroquinolino[3,2-a]acridin-11-yl]methyl]propan-1-amine
CID 163682656
3-[(5Z)-8-[[3-amino-1-[(1R)-cyclohexa-2,4-dien-1-yl]-3-cyclohexa-1,3-dien-1-ylprop-2-enylidene]amino]octa-1,5-dien-4-yl]-N-[(1R)-4-methylcyclohex-2-en-1-yl]cyclohexa-1,3-dien-1-amine
CID 173508377
6,9,15,26-Tetrazahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-2(7),3,8(13),11,15,17,19,21,23,25-decaene
CID 170518923

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2,3-dihydroacridin-9-yl)heptane-1,7-diamine?
The IUPAC name of N,N'-bis(2,3-dihydroacridin-9-yl)heptane-1,7-diamine (CID 122199223) is N,N'-bis(2,3-dihydroacridin-9-yl)heptane-1,7-diamine.
What is the SMILES notation for N,N'-bis(2,3-dihydroacridin-9-yl)heptane-1,7-diamine?
The canonical SMILES for N,N'-bis(2,3-dihydroacridin-9-yl)heptane-1,7-diamine is C1=c2nc3ccccc3c(NCCCCCCCNc3c4c(nc5ccccc35)=CCCC=4)c2=CCC1.
What is the InChIKey of N,N'-bis(2,3-dihydroacridin-9-yl)heptane-1,7-diamine?
The InChIKey is HAVPPTADCBBPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14-21,34-35H,1-3,5,7,9,11-13,22-23H2.
What are the key properties of N,N'-bis(2,3-dihydroacridin-9-yl)heptane-1,7-diamine?
N,N'-bis(2,3-dihydroacridin-9-yl)heptane-1,7-diamine has a molecular weight of 488.68 g/mol, XLogP of 4.97, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2,3-dihydroacridin-9-yl)heptane-1,7-diamine is sourced from PubChem (CID 122199223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).