N,N'-bis(2,2,6,6-tetramethylacridin-4-yl)hexane-1,6-diamine

C40H50N4 — CID 154019367

IUPACN,N'-bis(2,2,6,6-tetramethylacridin-4-yl)hexane-1,6-diamine
SMILESCC1(C)C=C(NCCCCCCNC2=CC(C)(C)C=c3cc4c(nc32)=CC(C)(C)C=C4)c2nc3c(cc2=C1)C=CC(C)(C)C=3
InChIInChI=1S/C40H50N4/c1-37(2)15-13-27-19-29-21-39(5,6)25-33(35(29)43-31(27)23-37)41-17-11-9-10-12-18-42-34-26-40(7,8)22-30-20-28-14-16-38(3,4)24-32(28)44-36(30)34/h13-16,19-26,41-42H,9-12,17-18H2,1-8H3
InChIKeyCSYOGHVSONOBMC-UHFFFAOYSA-N
MW586.87 g/mol
LogP5.91
Rot. Bonds9

About N,N'-bis(2,2,6,6-tetramethylacridin-4-yl)hexane-1,6-diamine

N,N'-bis(2,2,6,6-tetramethylacridin-4-yl)hexane-1,6-diamine (PubChem CID 154019367) has the molecular formula C40H50N4 and a molecular weight of 586.87 g/mol. Its IUPAC name is N,N'-bis(2,2,6,6-tetramethylacridin-4-yl)hexane-1,6-diamine.

Molecular Properties

Compound NameN,N'-bis(2,2,6,6-tetramethylacridin-4-yl)hexane-1,6-diamine
PubChem CID154019367
Molecular FormulaC40H50N4
Molecular Weight586.87 g/mol
Exact Mass586.40
IUPAC NameN,N'-bis(2,2,6,6-tetramethylacridin-4-yl)hexane-1,6-diamine
SMILESCC1(C)C=C(NCCCCCCNC2=CC(C)(C)C=c3cc4c(nc32)=CC(C)(C)C=C4)c2nc3c(cc2=C1)C=CC(C)(C)C=3
InChIInChI=1S/C40H50N4/c1-37(2)15-13-27-19-29-21-39(5,6)25-33(35(29)43-31(27)23-37)41-17-11-9-10-12-18-42-34-26-40(7,8)22-30-20-28-14-16-38(3,4)24-32(28)44-36(30)34/h13-16,19-26,41-42H,9-12,17-18H2,1-8H3
InChIKeyCSYOGHVSONOBMC-UHFFFAOYSA-N
XLogP5.91
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.87
LogP ≤ 55.91
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

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CID 122199223
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CID 70815934
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
N'-[(Z)-(2-aminocyclohexen-1-yl)-(3-methylcyclohexa-2,4-dien-1-ylidene)methyl]-N-(7-methyl-1,2,3,4,10,10a-hexahydroacridin-9-yl)butane-1,4-diamine
CID 142952597
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
(Z)-N,N'-dimethyl-4-methylidene-2-[6-[2-(6-methyl-1,2,3,6-tetrahydropyridin-2-yl)-1,4-dihydropyridin-3-yl]-2,3-dihydro-1,5-naphthyridin-3-yl]hept-2-ene-1,7-diamine
CID 156412817
(3-Amino-5-methyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)-methylazanium;(3-amino-2,4,5-trimethyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)-methylazanium;[2,3-dimethyl-5-(methylamino)-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene]-methylazanium;dimethyl-[2,3,6-trimethyl-5-(methylamino)-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene]azanium;methane
CID 159526175
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
2,3,22,23-Tetramethyl-2,23,29,36-tetraza-9,16-diazoniaheptacyclo[35.3.1.14,8.117,21.124,28.05,40.020,25]tetratetraconta-1(41),3,5(40),6,8(44),17(43),18,20(25),21,24(42),26,28,36,38-tetradecaen-11,13,31,33-tetrayne
CID 101123653

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2,2,6,6-tetramethylacridin-4-yl)hexane-1,6-diamine?
The IUPAC name of N,N'-bis(2,2,6,6-tetramethylacridin-4-yl)hexane-1,6-diamine (CID 154019367) is N,N'-bis(2,2,6,6-tetramethylacridin-4-yl)hexane-1,6-diamine.
What is the SMILES notation for N,N'-bis(2,2,6,6-tetramethylacridin-4-yl)hexane-1,6-diamine?
The canonical SMILES for N,N'-bis(2,2,6,6-tetramethylacridin-4-yl)hexane-1,6-diamine is CC1(C)C=C(NCCCCCCNC2=CC(C)(C)C=c3cc4c(nc32)=CC(C)(C)C=C4)c2nc3c(cc2=C1)C=CC(C)(C)C=3.
What is the InChIKey of N,N'-bis(2,2,6,6-tetramethylacridin-4-yl)hexane-1,6-diamine?
The InChIKey is CSYOGHVSONOBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H50N4/c1-37(2)15-13-27-19-29-21-39(5,6)25-33(35(29)43-31(27)23-37)41-17-11-9-10-12-18-42-34-26-40(7,8)22-30-20-28-14-16-38(3,4)24-32(28)44-36(30)34/h13-16,19-26,41-42H,9-12,17-18H2,1-8H3.
What are the key properties of N,N'-bis(2,2,6,6-tetramethylacridin-4-yl)hexane-1,6-diamine?
N,N'-bis(2,2,6,6-tetramethylacridin-4-yl)hexane-1,6-diamine has a molecular weight of 586.87 g/mol, XLogP of 5.91, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2,2,6,6-tetramethylacridin-4-yl)hexane-1,6-diamine is sourced from PubChem (CID 154019367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).