N-ethyl-N-[(9-methylcarbazol-3-yl)methylideneamino]aniline

C22H21N3 — CID 58681613

IUPACN-ethyl-N-[(9-methylcarbazol-3-yl)methylideneamino]aniline
SMILESCCN(N=Cc1ccc2c(c1)c1ccccc1n2C)c1ccccc1
InChIInChI=1S/C22H21N3/c1-3-25(18-9-5-4-6-10-18)23-16-17-13-14-22-20(15-17)19-11-7-8-12-21(19)24(22)2/h4-16H,3H2,1-2H3
InChIKeyAKYGGKKKIUNCCV-UHFFFAOYSA-N
MW327.43 g/mol
LogP5.19
Rot. Bonds4

About N-ethyl-N-[(9-methylcarbazol-3-yl)methylideneamino]aniline

N-ethyl-N-[(9-methylcarbazol-3-yl)methylideneamino]aniline (PubChem CID 58681613) has the molecular formula C22H21N3 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-ethyl-N-[(9-methylcarbazol-3-yl)methylideneamino]aniline.

Molecular Properties

Compound NameN-ethyl-N-[(9-methylcarbazol-3-yl)methylideneamino]aniline
PubChem CID58681613
Molecular FormulaC22H21N3
Molecular Weight327.43 g/mol
Exact Mass327.17
IUPAC NameN-ethyl-N-[(9-methylcarbazol-3-yl)methylideneamino]aniline
SMILESCCN(N=Cc1ccc2c(c1)c1ccccc1n2C)c1ccccc1
InChIInChI=1S/C22H21N3/c1-3-25(18-9-5-4-6-10-18)23-16-17-13-14-22-20(15-17)19-11-7-8-12-21(19)24(22)2/h4-16H,3H2,1-2H3
InChIKeyAKYGGKKKIUNCCV-UHFFFAOYSA-N
XLogP5.19
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.43
LogP ≤ 55.19
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

N'-[(E)-(9-heptylcarbazol-3-yl)methylideneamino]-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]-N,N'-diphenylpentane-1,5-diamine
CID 21057530
4-N-[4-(diethylamino)phenyl]-1-N,1-N-diethyl-4-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]benzene-1,4-diamine
CID 20761205
N,N'-bis[(E)-(9-butylcarbazol-3-yl)methylideneamino]-N,N'-diphenylhexane-1,6-diamine
CID 20734223
N-methyl-N-[[9-[9-[3-[[methyl(phenyl)hydrazinylidene]methyl]carbazol-9-yl]nonyl]carbazol-3-yl]methylideneamino]aniline
CID 54328629
1-(N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]anilino)-3-[3-(N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]anilino)-2-hydroxypropyl]sulfanylpropan-2-ol
CID 59653627
N-[(4-ethenylphenyl)methyl]-N-[[9-ethyl-6-(9-ethylcarbazol-3-yl)carbazol-3-yl]methylideneamino]aniline
CID 155899468
1-(N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]anilino)-3-[2-[3-(N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]anilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 12023189
N-[(Z)-(9-methylcarbazol-3-yl)methylideneamino]-1,1-dioxo-N-phenylthiolan-3-amine
CID 71201048
N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]-1,1-dioxo-N-phenylthiolan-3-amine
CID 71104627
N-phenyl-N-[(E)-(9-propan-2-ylcarbazol-3-yl)methylideneamino]aniline
CID 14982033
N,N'-bis[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-N,N'-diphenylbutane-1,4-diamine;1-N,1-N'-bis[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-1-N,1-N'-diphenyldecane-1,1-diamine;N,N'-bis[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-N,N'-diphenylpentane-1,5-diamine;N'-[(E)-(9-heptylcarbazol-3-yl)methylideneamino]-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]-N,N'-diphenyldecane-1,10-diamine;N'-[(E)-(9-heptylcarbazol-3-yl)methylideneamino]-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]-N,N'-diphenylpentane-1,5-diamine;N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]-N,N'-diphenyl-N'-[(E)-[9-(3-phenylpropyl)carbazol-3-yl]methylideneamino]pentane-1,5-diamine
CID 172944686
N-[(9-ethynylcarbazol-3-yl)methylideneamino]-N-phenylaniline
CID 59922674

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(9-methylcarbazol-3-yl)methylideneamino]aniline?
The IUPAC name of N-ethyl-N-[(9-methylcarbazol-3-yl)methylideneamino]aniline (CID 58681613) is N-ethyl-N-[(9-methylcarbazol-3-yl)methylideneamino]aniline.
What is the SMILES notation for N-ethyl-N-[(9-methylcarbazol-3-yl)methylideneamino]aniline?
The canonical SMILES for N-ethyl-N-[(9-methylcarbazol-3-yl)methylideneamino]aniline is CCN(N=Cc1ccc2c(c1)c1ccccc1n2C)c1ccccc1.
What is the InChIKey of N-ethyl-N-[(9-methylcarbazol-3-yl)methylideneamino]aniline?
The InChIKey is AKYGGKKKIUNCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3/c1-3-25(18-9-5-4-6-10-18)23-16-17-13-14-22-20(15-17)19-11-7-8-12-21(19)24(22)2/h4-16H,3H2,1-2H3.
What are the key properties of N-ethyl-N-[(9-methylcarbazol-3-yl)methylideneamino]aniline?
N-ethyl-N-[(9-methylcarbazol-3-yl)methylideneamino]aniline has a molecular weight of 327.43 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(9-methylcarbazol-3-yl)methylideneamino]aniline is sourced from PubChem (CID 58681613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).