1-[[[ethylamino-[3-(3-methoxyphenyl)propylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide

C22H36N4O2 — CID 111570541

IUPAC1-[[[ethylamino-[3-(3-methoxyphenyl)propylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
SMILESCCN/C(=N\CC1(C(=O)N(C)C)CCCC1)NCCCc1cccc(OC)c1
InChIInChI=1S/C22H36N4O2/c1-5-23-21(24-15-9-11-18-10-8-12-19(16-18)28-4)25-17-22(13-6-7-14-22)20(27)26(2)3/h8,10,12,16H,5-7,9,11,13-15,17H2,1-4H3,(H2,23,24,25)
InChIKeyNKPXEKMUQUFWKI-UHFFFAOYSA-N
MW388.56 g/mol
LogP2.83
Rot. Bonds9

About 1-[[[ethylamino-[3-(3-methoxyphenyl)propylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide

1-[[[ethylamino-[3-(3-methoxyphenyl)propylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide (PubChem CID 111570541) has the molecular formula C22H36N4O2 and a molecular weight of 388.56 g/mol. Its IUPAC name is 1-[[[ethylamino-[3-(3-methoxyphenyl)propylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[[[ethylamino-[3-(3-methoxyphenyl)propylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
PubChem CID111570541
Molecular FormulaC22H36N4O2
Molecular Weight388.56 g/mol
Exact Mass388.28
IUPAC Name1-[[[ethylamino-[3-(3-methoxyphenyl)propylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
SMILESCCN/C(=N\CC1(C(=O)N(C)C)CCCC1)NCCCc1cccc(OC)c1
InChIInChI=1S/C22H36N4O2/c1-5-23-21(24-15-9-11-18-10-8-12-19(16-18)28-4)25-17-22(13-6-7-14-22)20(27)26(2)3/h8,10,12,16H,5-7,9,11,13-15,17H2,1-4H3,(H2,23,24,25)
InChIKeyNKPXEKMUQUFWKI-UHFFFAOYSA-N
XLogP2.83
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[[ethylamino-(2-phenoxyethylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111571655
1-[[[ethylamino-[2-(3-fluorophenoxy)ethylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111570145
1-[[[butylamino(ethylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111571749
1-[[[ethylamino-[2-(3-fluorophenoxy)ethylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 111570144
1-ethyl-2-[(4-methoxyphenyl)methyl]-3-[3-(3-methoxyphenyl)propyl]guanidine
CID 111184168
2-benzyl-1-ethyl-3-[3-(3-methoxyphenyl)propyl]guanidine;hydroiodide
CID 110954367
1-[[[ethylamino-[[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 109492163
1-[[[[3-(diethylamino)propylamino]-(ethylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111571671
1-[[[ethylamino-[(2-methoxy-2-phenylethyl)amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111569681
1-[[[N'-[[3-(2-amino-2-oxoethoxy)phenyl]methyl]-N-ethylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 111985856
1-[[[ethylamino-(3-pyrazol-1-ylpropylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111569667
1-[[[ethylamino-[2-(2-methoxyethoxy)ethylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 111571028

Frequently Asked Questions

What is the IUPAC name of 1-[[[ethylamino-[3-(3-methoxyphenyl)propylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
The IUPAC name of 1-[[[ethylamino-[3-(3-methoxyphenyl)propylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide (CID 111570541) is 1-[[[ethylamino-[3-(3-methoxyphenyl)propylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-[[[ethylamino-[3-(3-methoxyphenyl)propylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for 1-[[[ethylamino-[3-(3-methoxyphenyl)propylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide is CCN/C(=N\CC1(C(=O)N(C)C)CCCC1)NCCCc1cccc(OC)c1.
What is the InChIKey of 1-[[[ethylamino-[3-(3-methoxyphenyl)propylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
The InChIKey is NKPXEKMUQUFWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O2/c1-5-23-21(24-15-9-11-18-10-8-12-19(16-18)28-4)25-17-22(13-6-7-14-22)20(27)26(2)3/h8,10,12,16H,5-7,9,11,13-15,17H2,1-4H3,(H2,23,24,25).
What are the key properties of 1-[[[ethylamino-[3-(3-methoxyphenyl)propylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
1-[[[ethylamino-[3-(3-methoxyphenyl)propylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide has a molecular weight of 388.56 g/mol, XLogP of 2.83, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[ethylamino-[3-(3-methoxyphenyl)propylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 111570541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).