N-[(E)-[9-(2-ethylhexyl)carbazol-3-yl]methylideneamino]-N-methylaniline

C28H33N3 — CID 20719215

IUPACN-[(E)-[9-(2-ethylhexyl)carbazol-3-yl]methylideneamino]-N-methylaniline
SMILESCCCCC(CC)Cn1c2ccccc2c2cc(/C=N/N(C)c3ccccc3)ccc21
InChIInChI=1S/C28H33N3/c1-4-6-12-22(5-2)21-31-27-16-11-10-15-25(27)26-19-23(17-18-28(26)31)20-29-30(3)24-13-8-7-9-14-24/h7-11,13-20,22H,4-6,12,21H2,1-3H3/b29-20+
InChIKeyCVYGIJWOSUZNTM-ZTKZIYFRSA-N
MW411.59 g/mol
LogP7.48
Rot. Bonds9

About N-[(E)-[9-(2-ethylhexyl)carbazol-3-yl]methylideneamino]-N-methylaniline

N-[(E)-[9-(2-ethylhexyl)carbazol-3-yl]methylideneamino]-N-methylaniline (PubChem CID 20719215) has the molecular formula C28H33N3 and a molecular weight of 411.59 g/mol. Its IUPAC name is N-[(E)-[9-(2-ethylhexyl)carbazol-3-yl]methylideneamino]-N-methylaniline.

Molecular Properties

Compound NameN-[(E)-[9-(2-ethylhexyl)carbazol-3-yl]methylideneamino]-N-methylaniline
PubChem CID20719215
Molecular FormulaC28H33N3
Molecular Weight411.59 g/mol
Exact Mass411.27
IUPAC NameN-[(E)-[9-(2-ethylhexyl)carbazol-3-yl]methylideneamino]-N-methylaniline
SMILESCCCCC(CC)Cn1c2ccccc2c2cc(/C=N/N(C)c3ccccc3)ccc21
InChIInChI=1S/C28H33N3/c1-4-6-12-22(5-2)21-31-27-16-11-10-15-25(27)26-19-23(17-18-28(26)31)20-29-30(3)24-13-8-7-9-14-24/h7-11,13-20,22H,4-6,12,21H2,1-3H3/b29-20+
InChIKeyCVYGIJWOSUZNTM-ZTKZIYFRSA-N
XLogP7.48
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.59
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

9-(2-ethylhexyl)-3-N,6-N-bis(4-methylphenyl)-3-N,6-N-bis[4-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenyl]carbazole-3,6-diamine
CID 177397871
N-methyl-N-[[9-[9-[3-[[methyl(phenyl)hydrazinylidene]methyl]carbazol-9-yl]nonyl]carbazol-3-yl]methylideneamino]aniline
CID 54328629
N,N'-bis[(E)-(9-butylcarbazol-3-yl)methylideneamino]-N,N'-diphenylhexane-1,6-diamine
CID 20734223
3,6-bis(9-butylcarbazol-3-yl)-9-(2-ethylhexyl)carbazole
CID 102226013
N'-[(E)-(9-heptylcarbazol-3-yl)methylideneamino]-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]-N,N'-diphenylpentane-1,5-diamine
CID 21057530
N-phenyl-N-[(E)-(9-propan-2-ylcarbazol-3-yl)methylideneamino]aniline
CID 14982033
N-[(E)-2-[9-[10-[3,6-bis[(E)-[methyl(phenyl)hydrazinylidene]methyl]carbazol-9-yl]decyl]-6-[(E)-[methyl(phenyl)hydrazinylidene]methyl]carbazol-3-yl]ethenyl]-N-methylaniline
CID 20719221
N-[(9-decylcarbazol-3-yl)methylideneamino]-N-phenyl-4-(2-phenylethenyl)aniline
CID 72620759
9-(2-decyltetradecyl)carbazole
CID 86094421
N-[(E)-(4-carbazol-9-ylphenyl)methylideneamino]-N-methylaniline
CID 18730197
5-methyl-N-[(Z)-(9-pentylcarbazol-3-yl)methylideneamino]-N,1-diphenylpyrazol-3-amine
CID 59696037
N-ethyl-N-[(9-methylcarbazol-3-yl)methylideneamino]aniline
CID 58681613

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[9-(2-ethylhexyl)carbazol-3-yl]methylideneamino]-N-methylaniline?
The IUPAC name of N-[(E)-[9-(2-ethylhexyl)carbazol-3-yl]methylideneamino]-N-methylaniline (CID 20719215) is N-[(E)-[9-(2-ethylhexyl)carbazol-3-yl]methylideneamino]-N-methylaniline.
What is the SMILES notation for N-[(E)-[9-(2-ethylhexyl)carbazol-3-yl]methylideneamino]-N-methylaniline?
The canonical SMILES for N-[(E)-[9-(2-ethylhexyl)carbazol-3-yl]methylideneamino]-N-methylaniline is CCCCC(CC)Cn1c2ccccc2c2cc(/C=N/N(C)c3ccccc3)ccc21.
What is the InChIKey of N-[(E)-[9-(2-ethylhexyl)carbazol-3-yl]methylideneamino]-N-methylaniline?
The InChIKey is CVYGIJWOSUZNTM-ZTKZIYFRSA-N. The full InChI is InChI=1S/C28H33N3/c1-4-6-12-22(5-2)21-31-27-16-11-10-15-25(27)26-19-23(17-18-28(26)31)20-29-30(3)24-13-8-7-9-14-24/h7-11,13-20,22H,4-6,12,21H2,1-3H3/b29-20+.
What are the key properties of N-[(E)-[9-(2-ethylhexyl)carbazol-3-yl]methylideneamino]-N-methylaniline?
N-[(E)-[9-(2-ethylhexyl)carbazol-3-yl]methylideneamino]-N-methylaniline has a molecular weight of 411.59 g/mol, XLogP of 7.48, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[9-(2-ethylhexyl)carbazol-3-yl]methylideneamino]-N-methylaniline is sourced from PubChem (CID 20719215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).