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

C23H33N3 — CID 150809900

IUPACN'-(2,2,6,6-tetramethylacridin-4-yl)hexane-1,6-diamine
SMILESCC1(C)C=C(NCCCCCCN)c2nc3c(cc2=C1)C=CC(C)(C)C=3
InChIInChI=1S/C23H33N3/c1-22(2)10-9-17-13-18-14-23(3,4)16-20(21(18)26-19(17)15-22)25-12-8-6-5-7-11-24/h9-10,13-16,25H,5-8,11-12,24H2,1-4H3
InChIKeyKHRCZJGVTKPALV-UHFFFAOYSA-N
MW351.54 g/mol
LogP3.18
Rot. Bonds7

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

N'-(2,2,6,6-tetramethylacridin-4-yl)hexane-1,6-diamine (PubChem CID 150809900) has the molecular formula C23H33N3 and a molecular weight of 351.54 g/mol. Its IUPAC name is N'-(2,2,6,6-tetramethylacridin-4-yl)hexane-1,6-diamine.

Molecular Properties

Compound NameN'-(2,2,6,6-tetramethylacridin-4-yl)hexane-1,6-diamine
PubChem CID150809900
Molecular FormulaC23H33N3
Molecular Weight351.54 g/mol
Exact Mass351.27
IUPAC NameN'-(2,2,6,6-tetramethylacridin-4-yl)hexane-1,6-diamine
SMILESCC1(C)C=C(NCCCCCCN)c2nc3c(cc2=C1)C=CC(C)(C)C=3
InChIInChI=1S/C23H33N3/c1-22(2)10-9-17-13-18-14-23(3,4)16-20(21(18)26-19(17)15-22)25-12-8-6-5-7-11-24/h9-10,13-16,25H,5-8,11-12,24H2,1-4H3
InChIKeyKHRCZJGVTKPALV-UHFFFAOYSA-N
XLogP3.18
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.54
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(2,3-dihydroacridin-9-yl)heptane-1,7-diamine
CID 122199223
Hexahydro-benzo[b][1,7]phenanthroline
CID 129756946
Hexahydrodibenzo[b,h][1,6]naphthyridine
CID 168266461
3-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)-5,6,7,8a-tetrahydro-1H-quinolin-8-imine
CID 18644461
2-(4-Methylcyclohexa-1,3-dien-1-yl)-1,8a-dihydroquinoxaline
CID 70815934
N-[1-(4-ethyl-6,7-dihydroquinolin-2-yl)ethyl]cyclopropanamine
CID 90065150
[4-Ethyl-5-methylimino-11-(prop-2-enylamino)trideca-3,7,10,12-tetraen-3-yl]-methyl-methylideneazanium
CID 91589718
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-[[4-[(cyclohex-2-en-1-ylideneamino)methyl]cyclohexa-1,3-dien-1-yl]methyl]-1-methylcyclohexa-2,4-dien-1-amine
CID 123382168
4-Cyclohexa-1,3-dien-1-yl-6-methyl-2-(1-methylcyclohexa-2,4-dien-1-yl)-1,2-dihydropyrimidine
CID 126656374
(5Z)-N-methyl-5-[(Z)-3-(2-methyl-3,4,5,6-tetrahydroquinolin-7-yl)prop-1-enyl]octa-5,7-dien-1-amine
CID 129058452
1-[(3Z)-3-[(2E)-3-[3-[(3E)-3-[(2Z)-3-methylhexa-2,5-dienylidene]cyclohexa-1,5-dien-1-yl]-6,7-dihydronaphthalen-2-yl]penta-2,4-dienylidene]-1,2-dihydropyrrol-5-yl]-N-propan-2-ylethanimine
CID 134332986

Frequently Asked Questions

What is the IUPAC name of N'-(2,2,6,6-tetramethylacridin-4-yl)hexane-1,6-diamine?
The IUPAC name of N'-(2,2,6,6-tetramethylacridin-4-yl)hexane-1,6-diamine (CID 150809900) is N'-(2,2,6,6-tetramethylacridin-4-yl)hexane-1,6-diamine.
What is the SMILES notation for N'-(2,2,6,6-tetramethylacridin-4-yl)hexane-1,6-diamine?
The canonical SMILES for N'-(2,2,6,6-tetramethylacridin-4-yl)hexane-1,6-diamine is CC1(C)C=C(NCCCCCCN)c2nc3c(cc2=C1)C=CC(C)(C)C=3.
What is the InChIKey of N'-(2,2,6,6-tetramethylacridin-4-yl)hexane-1,6-diamine?
The InChIKey is KHRCZJGVTKPALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3/c1-22(2)10-9-17-13-18-14-23(3,4)16-20(21(18)26-19(17)15-22)25-12-8-6-5-7-11-24/h9-10,13-16,25H,5-8,11-12,24H2,1-4H3.
What are the key properties of N'-(2,2,6,6-tetramethylacridin-4-yl)hexane-1,6-diamine?
N'-(2,2,6,6-tetramethylacridin-4-yl)hexane-1,6-diamine has a molecular weight of 351.54 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2,6,6-tetramethylacridin-4-yl)hexane-1,6-diamine is sourced from PubChem (CID 150809900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).