10-dodecyl-3-N,3-N,3-N',3-N'-tetramethyl-4H-acridin-10-ium-3,3-diamine

C29H46N3+ — CID 67699359

IUPAC10-dodecyl-3-N,3-N,3-N',3-N'-tetramethyl-4H-acridin-10-ium-3,3-diamine
SMILESCCCCCCCCCCCC[n+]1c2c(cc3ccccc31)C=CC(N(C)C)(N(C)C)C2
InChIInChI=1S/C29H46N3/c1-6-7-8-9-10-11-12-13-14-17-22-32-27-19-16-15-18-25(27)23-26-20-21-29(30(2)3,31(4)5)24-28(26)32/h15-16,18-21,23H,6-14,17,22,24H2,1-5H3/q+1
InChIKeyIQMBZYQEXOYSJW-UHFFFAOYSA-N
MW436.71 g/mol
LogP6.44
Rot. Bonds13

About 10-dodecyl-3-N,3-N,3-N',3-N'-tetramethyl-4H-acridin-10-ium-3,3-diamine

10-dodecyl-3-N,3-N,3-N',3-N'-tetramethyl-4H-acridin-10-ium-3,3-diamine (PubChem CID 67699359) has the molecular formula C29H46N3+ and a molecular weight of 436.71 g/mol. Its IUPAC name is 10-dodecyl-3-N,3-N,3-N',3-N'-tetramethyl-4H-acridin-10-ium-3,3-diamine.

Molecular Properties

Compound Name10-dodecyl-3-N,3-N,3-N',3-N'-tetramethyl-4H-acridin-10-ium-3,3-diamine
PubChem CID67699359
Molecular FormulaC29H46N3+
Molecular Weight436.71 g/mol
Exact Mass436.37
IUPAC Name10-dodecyl-3-N,3-N,3-N',3-N'-tetramethyl-4H-acridin-10-ium-3,3-diamine
SMILESCCCCCCCCCCCC[n+]1c2c(cc3ccccc31)C=CC(N(C)C)(N(C)C)C2
InChIInChI=1S/C29H46N3/c1-6-7-8-9-10-11-12-13-14-17-22-32-27-19-16-15-18-25(27)23-26-20-21-29(30(2)3,31(4)5)24-28(26)32/h15-16,18-21,23H,6-14,17,22,24H2,1-5H3/q+1
InChIKeyIQMBZYQEXOYSJW-UHFFFAOYSA-N
XLogP6.44
TPSA10.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.71
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 10-dodecyl-3-N,3-N,3-N',3-N'-tetramethyl-4H-acridin-10-ium-3,3-diamine with MolForge

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Related Compounds

10-octadecylacridin-10-ium
CID 19067410
10-(6-acridin-10-ium-10-ylhexyl)acridin-10-ium diiodide
CID 71371813
1-(azetidin-1-yl)-10-nonylacridin-10-ium
CID 175291600
2-[(E)-2-(1-decylquinolin-1-ium-2-yl)ethenyl]phenol
CID 87743068
5-hexylphenanthridin-5-ium
CID 10015686
heptadecyl(triphenyl)silane
CID 4520075
acridine;heptane
CID 158562494
3-heptadecyl-2-octadecyl-1H-benzimidazol-3-ium
CID 156853108
1-octyl-2,4,6-triphenylpyridin-1-ium tetrafluoroborate
CID 12564811
13-hexyl-2-phenyl-13-azoniapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
CID 102026637
3-butyl-2-methyl-1H-benzimidazol-3-ium iodide
CID 141472631
1-heptyl-2,3,5,6-tetraphenylpyridin-1-ium
CID 3734324

Frequently Asked Questions

What is the IUPAC name of 10-dodecyl-3-N,3-N,3-N',3-N'-tetramethyl-4H-acridin-10-ium-3,3-diamine?
The IUPAC name of 10-dodecyl-3-N,3-N,3-N',3-N'-tetramethyl-4H-acridin-10-ium-3,3-diamine (CID 67699359) is 10-dodecyl-3-N,3-N,3-N',3-N'-tetramethyl-4H-acridin-10-ium-3,3-diamine.
What is the SMILES notation for 10-dodecyl-3-N,3-N,3-N',3-N'-tetramethyl-4H-acridin-10-ium-3,3-diamine?
The canonical SMILES for 10-dodecyl-3-N,3-N,3-N',3-N'-tetramethyl-4H-acridin-10-ium-3,3-diamine is CCCCCCCCCCCC[n+]1c2c(cc3ccccc31)C=CC(N(C)C)(N(C)C)C2.
What is the InChIKey of 10-dodecyl-3-N,3-N,3-N',3-N'-tetramethyl-4H-acridin-10-ium-3,3-diamine?
The InChIKey is IQMBZYQEXOYSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H46N3/c1-6-7-8-9-10-11-12-13-14-17-22-32-27-19-16-15-18-25(27)23-26-20-21-29(30(2)3,31(4)5)24-28(26)32/h15-16,18-21,23H,6-14,17,22,24H2,1-5H3/q+1.
What are the key properties of 10-dodecyl-3-N,3-N,3-N',3-N'-tetramethyl-4H-acridin-10-ium-3,3-diamine?
10-dodecyl-3-N,3-N,3-N',3-N'-tetramethyl-4H-acridin-10-ium-3,3-diamine has a molecular weight of 436.71 g/mol, XLogP of 6.44, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-dodecyl-3-N,3-N,3-N',3-N'-tetramethyl-4H-acridin-10-ium-3,3-diamine is sourced from PubChem (CID 67699359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).