1-[[[ethylamino-[2-(4-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide

C23H35N5O — CID 111572263

IUPAC1-[[[ethylamino-[2-(4-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
SMILESCCN/C(=N\CC1(C(=O)N(C)C)CCCC1)NCCc1c[nH]c2cccc(C)c12
InChIInChI=1S/C23H35N5O/c1-5-24-22(27-16-23(12-6-7-13-23)21(29)28(3)4)25-14-11-18-15-26-19-10-8-9-17(2)20(18)19/h8-10,15,26H,5-7,11-14,16H2,1-4H3,(H2,24,25,27)
InChIKeyJOLIZUZVFBJIAV-UHFFFAOYSA-N
MW397.57 g/mol
LogP3.22
Rot. Bonds7

About 1-[[[ethylamino-[2-(4-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide

1-[[[ethylamino-[2-(4-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide (PubChem CID 111572263) has the molecular formula C23H35N5O and a molecular weight of 397.57 g/mol. Its IUPAC name is 1-[[[ethylamino-[2-(4-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[[[ethylamino-[2-(4-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
PubChem CID111572263
Molecular FormulaC23H35N5O
Molecular Weight397.57 g/mol
Exact Mass397.28
IUPAC Name1-[[[ethylamino-[2-(4-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
SMILESCCN/C(=N\CC1(C(=O)N(C)C)CCCC1)NCCc1c[nH]c2cccc(C)c12
InChIInChI=1S/C23H35N5O/c1-5-24-22(27-16-23(12-6-7-13-23)21(29)28(3)4)25-14-11-18-15-26-19-10-8-9-17(2)20(18)19/h8-10,15,26H,5-7,11-14,16H2,1-4H3,(H2,24,25,27)
InChIKeyJOLIZUZVFBJIAV-UHFFFAOYSA-N
XLogP3.22
TPSA72.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.57
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

1-ethyl-3-[2-(4-methyl-1H-indol-3-yl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111178735
2-[[butylamino-[2-(4-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111365939
1-hydroxy-N-[2-(4-methyl-1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 110932725
1-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 119318274
1-[[[butylamino(ethylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111571749
1-[[[ethylamino-(2-phenoxyethylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111571655
1-[[[ethylamino-[[1-(4-fluorophenyl)cyclopropyl]methylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111570935
1-ethyl-3-[2-(4-methyl-1H-indol-3-yl)ethyl]-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide
CID 111146760
1-ethyl-3-[2-(4-methyl-1H-indol-3-yl)ethyl]-2-(4-methylsulfanylbutyl)guanidine;hydroiodide
CID 111629471
1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine
CID 111355594
1-ethyl-2-(furan-2-ylmethyl)-3-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 110938671
1-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 119774498

Frequently Asked Questions

What is the IUPAC name of 1-[[[ethylamino-[2-(4-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
The IUPAC name of 1-[[[ethylamino-[2-(4-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide (CID 111572263) is 1-[[[ethylamino-[2-(4-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-[[[ethylamino-[2-(4-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for 1-[[[ethylamino-[2-(4-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide is CCN/C(=N\CC1(C(=O)N(C)C)CCCC1)NCCc1c[nH]c2cccc(C)c12.
What is the InChIKey of 1-[[[ethylamino-[2-(4-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
The InChIKey is JOLIZUZVFBJIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O/c1-5-24-22(27-16-23(12-6-7-13-23)21(29)28(3)4)25-14-11-18-15-26-19-10-8-9-17(2)20(18)19/h8-10,15,26H,5-7,11-14,16H2,1-4H3,(H2,24,25,27).
What are the key properties of 1-[[[ethylamino-[2-(4-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
1-[[[ethylamino-[2-(4-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide has a molecular weight of 397.57 g/mol, XLogP of 3.22, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[ethylamino-[2-(4-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 111572263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).