1-[[[ethylamino-[(2-methoxy-2-phenylethyl)amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide

C21H34N4O2 — CID 111569681

IUPAC1-[[[ethylamino-[(2-methoxy-2-phenylethyl)amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
SMILESCCN/C(=N\CC1(C(=O)N(C)C)CCCC1)NCC(OC)c1ccccc1
InChIInChI=1S/C21H34N4O2/c1-5-22-20(23-15-18(27-4)17-11-7-6-8-12-17)24-16-21(13-9-10-14-21)19(26)25(2)3/h6-8,11-12,18H,5,9-10,13-16H2,1-4H3,(H2,22,23,24)
InChIKeyIDSHXMVIZAYZGD-UHFFFAOYSA-N
MW374.53 g/mol
LogP2.58
Rot. Bonds8

About 1-[[[ethylamino-[(2-methoxy-2-phenylethyl)amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide

1-[[[ethylamino-[(2-methoxy-2-phenylethyl)amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide (PubChem CID 111569681) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is 1-[[[ethylamino-[(2-methoxy-2-phenylethyl)amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[[[ethylamino-[(2-methoxy-2-phenylethyl)amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
PubChem CID111569681
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Name1-[[[ethylamino-[(2-methoxy-2-phenylethyl)amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
SMILESCCN/C(=N\CC1(C(=O)N(C)C)CCCC1)NCC(OC)c1ccccc1
InChIInChI=1S/C21H34N4O2/c1-5-22-20(23-15-18(27-4)17-11-7-6-8-12-17)24-16-21(13-9-10-14-21)19(26)25(2)3/h6-8,11-12,18H,5,9-10,13-16H2,1-4H3,(H2,22,23,24)
InChIKeyIDSHXMVIZAYZGD-UHFFFAOYSA-N
XLogP2.58
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[[[ethylamino-(2-phenoxyethylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111571655
1-[[[ethylamino-[[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 109492163
1-[[[[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-(ethylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 111570262
1-[[[ethylamino-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111570109
1-[[[butylamino(ethylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111571749
1-[[[ethylamino-[3-(3-methoxyphenyl)propylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111570541
1-[[[[3-(diethylamino)propylamino]-(ethylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111571671
1-[[[ethylamino-(2-pyrrolidin-1-ylbutylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 111571036
1-[[[ethylamino-[2-(2-methoxyethoxy)ethylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 111571028
1-[[[ethylamino-[3-(2-methylpropoxy)propylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111571615
1-[[[ethylamino-[[1-(4-fluorophenyl)cyclopropyl]methylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111570935
1-[[[ethylamino-[2-(3-fluorophenoxy)ethylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111570145

Frequently Asked Questions

What is the IUPAC name of 1-[[[ethylamino-[(2-methoxy-2-phenylethyl)amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
The IUPAC name of 1-[[[ethylamino-[(2-methoxy-2-phenylethyl)amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide (CID 111569681) is 1-[[[ethylamino-[(2-methoxy-2-phenylethyl)amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-[[[ethylamino-[(2-methoxy-2-phenylethyl)amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for 1-[[[ethylamino-[(2-methoxy-2-phenylethyl)amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide is CCN/C(=N\CC1(C(=O)N(C)C)CCCC1)NCC(OC)c1ccccc1.
What is the InChIKey of 1-[[[ethylamino-[(2-methoxy-2-phenylethyl)amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
The InChIKey is IDSHXMVIZAYZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-5-22-20(23-15-18(27-4)17-11-7-6-8-12-17)24-16-21(13-9-10-14-21)19(26)25(2)3/h6-8,11-12,18H,5,9-10,13-16H2,1-4H3,(H2,22,23,24).
What are the key properties of 1-[[[ethylamino-[(2-methoxy-2-phenylethyl)amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
1-[[[ethylamino-[(2-methoxy-2-phenylethyl)amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide has a molecular weight of 374.53 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[ethylamino-[(2-methoxy-2-phenylethyl)amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 111569681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).