1-(azetidin-1-yl)-10-nonylacridin-10-ium

C25H33N2+ — CID 175291600

IUPAC1-(azetidin-1-yl)-10-nonylacridin-10-ium
SMILESCCCCCCCCC[n+]1c2ccccc2cc2c(N3CCC3)cccc21
InChIInChI=1S/C25H33N2/c1-2-3-4-5-6-7-10-19-27-23-14-9-8-13-21(23)20-22-24(26-17-12-18-26)15-11-16-25(22)27/h8-9,11,13-16,20H,2-7,10,12,17-19H2,1H3/q+1
InChIKeyMFSNZHQQRAIUJT-UHFFFAOYSA-N
MW361.55 g/mol
LogP6.24
Rot. Bonds9

About 1-(azetidin-1-yl)-10-nonylacridin-10-ium

1-(azetidin-1-yl)-10-nonylacridin-10-ium (PubChem CID 175291600) has the molecular formula C25H33N2+ and a molecular weight of 361.55 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-10-nonylacridin-10-ium.

Molecular Properties

Compound Name1-(azetidin-1-yl)-10-nonylacridin-10-ium
PubChem CID175291600
Molecular FormulaC25H33N2+
Molecular Weight361.55 g/mol
Exact Mass361.26
IUPAC Name1-(azetidin-1-yl)-10-nonylacridin-10-ium
SMILESCCCCCCCCC[n+]1c2ccccc2cc2c(N3CCC3)cccc21
InChIInChI=1S/C25H33N2/c1-2-3-4-5-6-7-10-19-27-23-14-9-8-13-21(23)20-22-24(26-17-12-18-26)15-11-16-25(22)27/h8-9,11,13-16,20H,2-7,10,12,17-19H2,1H3/q+1
InChIKeyMFSNZHQQRAIUJT-UHFFFAOYSA-N
XLogP6.24
TPSA7.12 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.55
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

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1-anthracen-1-ylpiperidine
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10-dodecyl-3-N,3-N,3-N',3-N'-tetramethyl-4H-acridin-10-ium-3,3-diamine
CID 67699359
12-hexyl-12-azoniaoctacyclo[14.10.2.02,11.03,8.04,25.013,27.020,28.021,26]octacosa-1(27),2(11),3(8),4,6,9,12,14,16(28),17,19,21,23,25-tetradecaene
CID 102026640
N,N-dihexyl-2-piperidin-1-ylaniline
CID 66869009
1-methyl-4-(7-nonoxynaphthalen-1-yl)piperazine
CID 67762808
3-cyclohexyl-1-pentylquinazoline-1,3-diium-2,4-diol
CID 78578196
1-phenanthren-1-ylpyrrolidine
CID 138533599
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
5-hexylphenanthridin-5-ium
CID 10015686

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-10-nonylacridin-10-ium?
The IUPAC name of 1-(azetidin-1-yl)-10-nonylacridin-10-ium (CID 175291600) is 1-(azetidin-1-yl)-10-nonylacridin-10-ium.
What is the SMILES notation for 1-(azetidin-1-yl)-10-nonylacridin-10-ium?
The canonical SMILES for 1-(azetidin-1-yl)-10-nonylacridin-10-ium is CCCCCCCCC[n+]1c2ccccc2cc2c(N3CCC3)cccc21.
What is the InChIKey of 1-(azetidin-1-yl)-10-nonylacridin-10-ium?
The InChIKey is MFSNZHQQRAIUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N2/c1-2-3-4-5-6-7-10-19-27-23-14-9-8-13-21(23)20-22-24(26-17-12-18-26)15-11-16-25(22)27/h8-9,11,13-16,20H,2-7,10,12,17-19H2,1H3/q+1.
What are the key properties of 1-(azetidin-1-yl)-10-nonylacridin-10-ium?
1-(azetidin-1-yl)-10-nonylacridin-10-ium has a molecular weight of 361.55 g/mol, XLogP of 6.24, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)-10-nonylacridin-10-ium is sourced from PubChem (CID 175291600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).