N-butyl-N-ethyl-N'-methylethanimidamide;2-(methylamino)-1H-indol-5-ol

C18H30N4O — CID 142238188

IUPACN-butyl-N-ethyl-N'-methylethanimidamide;2-(methylamino)-1H-indol-5-ol
SMILESCCCCN(CC)/C(C)=N/C.CNc1cc2cc(O)ccc2[nH]1
InChIInChI=1S/C9H10N2O.C9H20N2/c1-10-9-5-6-4-7(12)2-3-8(6)11-9;1-5-7-8-11(6-2)9(3)10-4/h2-5,10-12H,1H3;5-8H2,1-4H3/b;10-9+
InChIKeyMOCGNXNKCVAYAS-GMOHPMBGSA-N
MW318.47 g/mol
LogP4.07
Rot. Bonds5

About N-butyl-N-ethyl-N'-methylethanimidamide;2-(methylamino)-1H-indol-5-ol

N-butyl-N-ethyl-N'-methylethanimidamide;2-(methylamino)-1H-indol-5-ol (PubChem CID 142238188) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is N-butyl-N-ethyl-N'-methylethanimidamide;2-(methylamino)-1H-indol-5-ol.

Molecular Properties

Compound NameN-butyl-N-ethyl-N'-methylethanimidamide;2-(methylamino)-1H-indol-5-ol
PubChem CID142238188
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC NameN-butyl-N-ethyl-N'-methylethanimidamide;2-(methylamino)-1H-indol-5-ol
SMILESCCCCN(CC)/C(C)=N/C.CNc1cc2cc(O)ccc2[nH]1
InChIInChI=1S/C9H10N2O.C9H20N2/c1-10-9-5-6-4-7(12)2-3-8(6)11-9;1-5-7-8-11(6-2)9(3)10-4/h2-5,10-12H,1H3;5-8H2,1-4H3/b;10-9+
InChIKeyMOCGNXNKCVAYAS-GMOHPMBGSA-N
XLogP4.07
TPSA63.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-butyl-N-ethyl-N'-methylethanimidamide;2-(methylamino)-1H-indol-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-N'-methylethanimidamide;2-(methylamino)-1H-indol-5-ol?
The IUPAC name of N-butyl-N-ethyl-N'-methylethanimidamide;2-(methylamino)-1H-indol-5-ol (CID 142238188) is N-butyl-N-ethyl-N'-methylethanimidamide;2-(methylamino)-1H-indol-5-ol.
What is the SMILES notation for N-butyl-N-ethyl-N'-methylethanimidamide;2-(methylamino)-1H-indol-5-ol?
The canonical SMILES for N-butyl-N-ethyl-N'-methylethanimidamide;2-(methylamino)-1H-indol-5-ol is CCCCN(CC)/C(C)=N/C.CNc1cc2cc(O)ccc2[nH]1.
What is the InChIKey of N-butyl-N-ethyl-N'-methylethanimidamide;2-(methylamino)-1H-indol-5-ol?
The InChIKey is MOCGNXNKCVAYAS-GMOHPMBGSA-N. The full InChI is InChI=1S/C9H10N2O.C9H20N2/c1-10-9-5-6-4-7(12)2-3-8(6)11-9;1-5-7-8-11(6-2)9(3)10-4/h2-5,10-12H,1H3;5-8H2,1-4H3/b;10-9+.
What are the key properties of N-butyl-N-ethyl-N'-methylethanimidamide;2-(methylamino)-1H-indol-5-ol?
N-butyl-N-ethyl-N'-methylethanimidamide;2-(methylamino)-1H-indol-5-ol has a molecular weight of 318.47 g/mol, XLogP of 4.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-N'-methylethanimidamide;2-(methylamino)-1H-indol-5-ol is sourced from PubChem (CID 142238188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).