N'-[1-(1H-indol-2-yl)propan-2-yl]ethanimidamide

C13H17N3 — CID 142165156

IUPACN'-[1-(1H-indol-2-yl)propan-2-yl]ethanimidamide
SMILESC/C(N)=N\C(C)Cc1cc2ccccc2[nH]1
InChIInChI=1S/C13H17N3/c1-9(15-10(2)14)7-12-8-11-5-3-4-6-13(11)16-12/h3-6,8-9,16H,7H2,1-2H3,(H2,14,15)
InChIKeyZMXNAISCZQZTPW-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.48
Rot. Bonds3

About N'-[1-(1H-indol-2-yl)propan-2-yl]ethanimidamide

N'-[1-(1H-indol-2-yl)propan-2-yl]ethanimidamide (PubChem CID 142165156) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N'-[1-(1H-indol-2-yl)propan-2-yl]ethanimidamide.

Molecular Properties

Compound NameN'-[1-(1H-indol-2-yl)propan-2-yl]ethanimidamide
PubChem CID142165156
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN'-[1-(1H-indol-2-yl)propan-2-yl]ethanimidamide
SMILESC/C(N)=N\C(C)Cc1cc2ccccc2[nH]1
InChIInChI=1S/C13H17N3/c1-9(15-10(2)14)7-12-8-11-5-3-4-6-13(11)16-12/h3-6,8-9,16H,7H2,1-2H3,(H2,14,15)
InChIKeyZMXNAISCZQZTPW-UHFFFAOYSA-N
XLogP2.48
TPSA54.17 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(1H-indol-2-yl)-2-methylpropanoic acid
CID 22476899
1-(1H-indol-2-yl)butan-2-amine
CID 54026892
2-(2,3,3-trimethylbutyl)-1H-indole
CID 23522829
2-(1H-indol-2-yl)ethanamine;hydroiodide
CID 175201769
dimethyl 2-(1H-indol-2-ylmethyl)propanedioate
CID 132519173
N'-hydroxy-2-(1H-indol-2-yl)ethanimidamide
CID 119086971
4-(1H-indol-2-yl)butan-2-one
CID 10954278
2-(1H-indol-2-yl)-1-phenylethanol
CID 102199311
2-(4-methylpentyl)-1H-indole
CID 18761636
2-(4-fluoropentyl)-1H-indole
CID 170987599
2-azaniumyl-3-(1H-indol-2-yl)propanoate
CID 23278059
(2S)-1-(1H-indol-2-yl)butan-2-ol;(2R)-3-(1H-indol-2-yl)propane-1,2-diol
CID 159659832

Frequently Asked Questions

What is the IUPAC name of N'-[1-(1H-indol-2-yl)propan-2-yl]ethanimidamide?
The IUPAC name of N'-[1-(1H-indol-2-yl)propan-2-yl]ethanimidamide (CID 142165156) is N'-[1-(1H-indol-2-yl)propan-2-yl]ethanimidamide.
What is the SMILES notation for N'-[1-(1H-indol-2-yl)propan-2-yl]ethanimidamide?
The canonical SMILES for N'-[1-(1H-indol-2-yl)propan-2-yl]ethanimidamide is C/C(N)=N\C(C)Cc1cc2ccccc2[nH]1.
What is the InChIKey of N'-[1-(1H-indol-2-yl)propan-2-yl]ethanimidamide?
The InChIKey is ZMXNAISCZQZTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-9(15-10(2)14)7-12-8-11-5-3-4-6-13(11)16-12/h3-6,8-9,16H,7H2,1-2H3,(H2,14,15).
What are the key properties of N'-[1-(1H-indol-2-yl)propan-2-yl]ethanimidamide?
N'-[1-(1H-indol-2-yl)propan-2-yl]ethanimidamide has a molecular weight of 215.30 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(1H-indol-2-yl)propan-2-yl]ethanimidamide is sourced from PubChem (CID 142165156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).