1-[[[ethylamino-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide

C25H41N5O2 — CID 111570109

IUPAC1-[[[ethylamino-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
SMILESCCN/C(=N\CC1(C(=O)N(C)C)CCCC1)NCC(c1ccc(C)cc1)N1CCOCC1
InChIInChI=1S/C25H41N5O2/c1-5-26-24(28-19-25(12-6-7-13-25)23(31)29(3)4)27-18-22(30-14-16-32-17-15-30)21-10-8-20(2)9-11-21/h8-11,22H,5-7,12-19H2,1-4H3,(H2,26,27,28)
InChIKeyVTVDTNVYRBBLSU-UHFFFAOYSA-N
MW443.64 g/mol
LogP2.57
Rot. Bonds8

About 1-[[[ethylamino-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide

1-[[[ethylamino-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide (PubChem CID 111570109) has the molecular formula C25H41N5O2 and a molecular weight of 443.64 g/mol. Its IUPAC name is 1-[[[ethylamino-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[[[ethylamino-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
PubChem CID111570109
Molecular FormulaC25H41N5O2
Molecular Weight443.64 g/mol
Exact Mass443.33
IUPAC Name1-[[[ethylamino-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
SMILESCCN/C(=N\CC1(C(=O)N(C)C)CCCC1)NCC(c1ccc(C)cc1)N1CCOCC1
InChIInChI=1S/C25H41N5O2/c1-5-26-24(28-19-25(12-6-7-13-25)23(31)29(3)4)27-18-22(30-14-16-32-17-15-30)21-10-8-20(2)9-11-21/h8-11,22H,5-7,12-19H2,1-4H3,(H2,26,27,28)
InChIKeyVTVDTNVYRBBLSU-UHFFFAOYSA-N
XLogP2.57
TPSA69.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.64
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(4-methyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 111571270
1-[[[ethylamino-[(2-methoxy-2-phenylethyl)amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111569681
1-[[[N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111572145
2-[[[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111365881
1-[[[[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-(ethylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 111570262
2-[[ethylamino-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 111310060
1-ethyl-2-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine
CID 111837782
2-[[4-(dimethylamino)oxan-4-yl]methyl]-1-ethyl-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111785056
1-[[[ethylamino-(2-pyrrolidin-1-ylbutylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 111571036
1-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119859906
1-[[[ethylamino-(4-morpholin-4-ylbutylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 111572316
1-ethyl-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[(4-methylsulfanyloxan-4-yl)methyl]guanidine;hydroiodide
CID 111515193

Frequently Asked Questions

What is the IUPAC name of 1-[[[ethylamino-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
The IUPAC name of 1-[[[ethylamino-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide (CID 111570109) is 1-[[[ethylamino-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-[[[ethylamino-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for 1-[[[ethylamino-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide is CCN/C(=N\CC1(C(=O)N(C)C)CCCC1)NCC(c1ccc(C)cc1)N1CCOCC1.
What is the InChIKey of 1-[[[ethylamino-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
The InChIKey is VTVDTNVYRBBLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41N5O2/c1-5-26-24(28-19-25(12-6-7-13-25)23(31)29(3)4)27-18-22(30-14-16-32-17-15-30)21-10-8-20(2)9-11-21/h8-11,22H,5-7,12-19H2,1-4H3,(H2,26,27,28).
What are the key properties of 1-[[[ethylamino-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
1-[[[ethylamino-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide has a molecular weight of 443.64 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[ethylamino-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 111570109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).