8-amino-4-(4-hexylcyclohexyl)imino-5-hydroxynaphthalen-1-one

C22H30N2O2 — CID 135709750

IUPAC8-amino-4-(4-hexylcyclohexyl)imino-5-hydroxynaphthalen-1-one
SMILESCCCCCCC1CCC(/N=C2\C=CC(=O)c3c(N)ccc(O)c32)CC1
InChIInChI=1S/C22H30N2O2/c1-2-3-4-5-6-15-7-9-16(10-8-15)24-18-12-14-19(25)21-17(23)11-13-20(26)22(18)21/h11-16,26H,2-10,23H2,1H3/b24-18+
InChIKeyRKCMCHRDRLBJJP-HKOYGPOVSA-N
MW354.49 g/mol
LogP5.05
Rot. Bonds6

About 8-amino-4-(4-hexylcyclohexyl)imino-5-hydroxynaphthalen-1-one

8-amino-4-(4-hexylcyclohexyl)imino-5-hydroxynaphthalen-1-one (PubChem CID 135709750) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 8-amino-4-(4-hexylcyclohexyl)imino-5-hydroxynaphthalen-1-one.

Molecular Properties

Compound Name8-amino-4-(4-hexylcyclohexyl)imino-5-hydroxynaphthalen-1-one
PubChem CID135709750
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name8-amino-4-(4-hexylcyclohexyl)imino-5-hydroxynaphthalen-1-one
SMILESCCCCCCC1CCC(/N=C2\C=CC(=O)c3c(N)ccc(O)c32)CC1
InChIInChI=1S/C22H30N2O2/c1-2-3-4-5-6-15-7-9-16(10-8-15)24-18-12-14-19(25)21-17(23)11-13-20(26)22(18)21/h11-16,26H,2-10,23H2,1H3/b24-18+
InChIKeyRKCMCHRDRLBJJP-HKOYGPOVSA-N
XLogP5.05
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.49
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1,4-dihexylcyclohexane
CID 22947938
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
octadecane;pentadecylcyclopropane
CID 173301851
tetradecane;undecylcyclopropane
CID 173215670
4-[2-(4-heptylcyclohexyl)ethyl]cyclohexan-1-one
CID 15006713
4-decylcyclohexan-1-one
CID 13479948
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
azane;hexylcyclopropane
CID 135322230
2,3-dimethylphenol;octylcyclopentane
CID 145059039
hexane;pentylcyclopropane
CID 159592467
6-decylcyclododecan-1-one
CID 21490531
1-butoxy-4-[3-(4-heptylcyclohexyl)propoxy]benzene
CID 19738947

Frequently Asked Questions

What is the IUPAC name of 8-amino-4-(4-hexylcyclohexyl)imino-5-hydroxynaphthalen-1-one?
The IUPAC name of 8-amino-4-(4-hexylcyclohexyl)imino-5-hydroxynaphthalen-1-one (CID 135709750) is 8-amino-4-(4-hexylcyclohexyl)imino-5-hydroxynaphthalen-1-one.
What is the SMILES notation for 8-amino-4-(4-hexylcyclohexyl)imino-5-hydroxynaphthalen-1-one?
The canonical SMILES for 8-amino-4-(4-hexylcyclohexyl)imino-5-hydroxynaphthalen-1-one is CCCCCCC1CCC(/N=C2\C=CC(=O)c3c(N)ccc(O)c32)CC1.
What is the InChIKey of 8-amino-4-(4-hexylcyclohexyl)imino-5-hydroxynaphthalen-1-one?
The InChIKey is RKCMCHRDRLBJJP-HKOYGPOVSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-2-3-4-5-6-15-7-9-16(10-8-15)24-18-12-14-19(25)21-17(23)11-13-20(26)22(18)21/h11-16,26H,2-10,23H2,1H3/b24-18+.
What are the key properties of 8-amino-4-(4-hexylcyclohexyl)imino-5-hydroxynaphthalen-1-one?
8-amino-4-(4-hexylcyclohexyl)imino-5-hydroxynaphthalen-1-one has a molecular weight of 354.49 g/mol, XLogP of 5.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-4-(4-hexylcyclohexyl)imino-5-hydroxynaphthalen-1-one is sourced from PubChem (CID 135709750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).