N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]methanamine

C11H13N3 — CID 136786730

IUPACN-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]methanamine
SMILESCN/N=C/c1c(C)[nH]c2ccccc12
InChIInChI=1S/C11H13N3/c1-8-10(7-13-12-2)9-5-3-4-6-11(9)14-8/h3-7,12,14H,1-2H3/b13-7+
InChIKeyMZPIJYCPIIPISS-NTUHNPAUSA-N
MW187.25 g/mol
LogP2.03
Rot. Bonds2

About N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]methanamine

N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]methanamine (PubChem CID 136786730) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]methanamine.

Molecular Properties

Compound NameN-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]methanamine
PubChem CID136786730
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC NameN-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]methanamine
SMILESCN/N=C/c1c(C)[nH]c2ccccc12
InChIInChI=1S/C11H13N3/c1-8-10(7-13-12-2)9-5-3-4-6-11(9)14-8/h3-7,12,14H,1-2H3/b13-7+
InChIKeyMZPIJYCPIIPISS-NTUHNPAUSA-N
XLogP2.03
TPSA40.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.03
H-Bond Donors ≤ 52
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

2-chloro-N-[(2-methyl-1H-indol-3-yl)methylideneamino]aniline
CID 3656134
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-N-phenylaniline
CID 135758920
1-ethyl-3-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]thiourea
CID 135846336
4,5-dimethyl-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-amine
CID 136822328
3,5-dihydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135403084
N'-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 135574727
N,4-bis[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,2,4-triazol-3-amine
CID 137045142
N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide
CID 136852027
1-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-nitroguanidine
CID 135458853
3,5,6-trichloro-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridin-2-amine
CID 135716458
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-3-phenylpropanamide
CID 135420145
3-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,2,4-triazole-3,4-diamine;dihydrochloride
CID 137153076

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]methanamine?
The IUPAC name of N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]methanamine (CID 136786730) is N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]methanamine.
What is the SMILES notation for N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]methanamine?
The canonical SMILES for N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]methanamine is CN/N=C/c1c(C)[nH]c2ccccc12.
What is the InChIKey of N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]methanamine?
The InChIKey is MZPIJYCPIIPISS-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H13N3/c1-8-10(7-13-12-2)9-5-3-4-6-11(9)14-8/h3-7,12,14H,1-2H3/b13-7+.
What are the key properties of N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]methanamine?
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]methanamine has a molecular weight of 187.25 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]methanamine is sourced from PubChem (CID 136786730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).