N-[(E)-1H-indol-3-ylmethylideneamino]-N-methylaniline

C16H15N3 — CID 135571922

IUPACN-[(E)-1H-indol-3-ylmethylideneamino]-N-methylaniline
SMILESCN(/N=C/c1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C16H15N3/c1-19(14-7-3-2-4-8-14)18-12-13-11-17-16-10-6-5-9-15(13)16/h2-12,17H,1H3/b18-12+
InChIKeyNKUSLDLDIUKJLB-LDADJPATSA-N
MW249.32 g/mol
LogP3.64
Rot. Bonds3

About N-[(E)-1H-indol-3-ylmethylideneamino]-N-methylaniline

N-[(E)-1H-indol-3-ylmethylideneamino]-N-methylaniline (PubChem CID 135571922) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is N-[(E)-1H-indol-3-ylmethylideneamino]-N-methylaniline.

Molecular Properties

Compound NameN-[(E)-1H-indol-3-ylmethylideneamino]-N-methylaniline
PubChem CID135571922
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC NameN-[(E)-1H-indol-3-ylmethylideneamino]-N-methylaniline
SMILESCN(/N=C/c1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C16H15N3/c1-19(14-7-3-2-4-8-14)18-12-13-11-17-16-10-6-5-9-15(13)16/h2-12,17H,1H3/b18-12+
InChIKeyNKUSLDLDIUKJLB-LDADJPATSA-N
XLogP3.64
TPSA31.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-benzyl-N-[(E)-1H-indol-3-ylmethylideneamino]aniline
CID 135717367
1-[(E)-1H-indol-3-ylmethylideneamino]-1-phenylguanidine
CID 135801494
2-[[methyl(phenyl)hydrazinylidene]methyl]-N,N-diphenylaniline
CID 71246235
1-[(Z)-1H-indol-3-ylmethylideneamino]-1-phenylguanidine;nitric acid
CID 135802071
(E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(1H-indol-3-yl)methanimine
CID 135558233
1-(1H-indol-3-yl)-N-(4-propan-2-ylphenyl)methanimine
CID 3459519
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135810504
(E)-1-(1H-indol-3-yl)-N-piperidin-1-ylmethanimine
CID 135675955
2-N-(1H-indol-3-ylmethylideneamino)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 3092789
N'-(1H-indol-3-ylmethylideneamino)-N-phenyloxamide
CID 136679012
2-N-[(Z)-1H-indol-3-ylmethylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 136717071

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-N-methylaniline?
The IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-N-methylaniline (CID 135571922) is N-[(E)-1H-indol-3-ylmethylideneamino]-N-methylaniline.
What is the SMILES notation for N-[(E)-1H-indol-3-ylmethylideneamino]-N-methylaniline?
The canonical SMILES for N-[(E)-1H-indol-3-ylmethylideneamino]-N-methylaniline is CN(/N=C/c1c[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of N-[(E)-1H-indol-3-ylmethylideneamino]-N-methylaniline?
The InChIKey is NKUSLDLDIUKJLB-LDADJPATSA-N. The full InChI is InChI=1S/C16H15N3/c1-19(14-7-3-2-4-8-14)18-12-13-11-17-16-10-6-5-9-15(13)16/h2-12,17H,1H3/b18-12+.
What are the key properties of N-[(E)-1H-indol-3-ylmethylideneamino]-N-methylaniline?
N-[(E)-1H-indol-3-ylmethylideneamino]-N-methylaniline has a molecular weight of 249.32 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1H-indol-3-ylmethylideneamino]-N-methylaniline is sourced from PubChem (CID 135571922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).