1-[[[ethylamino-[(4-methyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide

C22H44IN5O2 — CID 111571270

IUPAC1-[[[ethylamino-[(4-methyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
SMILESCCN/C(=N\CC1(C(=O)N(C)C)CCCC1)NCC(CC(C)C)N1CCOCC1.I
InChIInChI=1S/C22H43N5O2.HI/c1-6-23-21(25-17-22(9-7-8-10-22)20(28)26(4)5)24-16-19(15-18(2)3)27-11-13-29-14-12-27;/h18-19H,6-17H2,1-5H3,(H2,23,24,25);1H
InChIKeyFGIJEAKCCXKPRP-UHFFFAOYSA-N
MW537.53 g/mol
LogP2.56
Rot. Bonds9

About 1-[[[ethylamino-[(4-methyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide

1-[[[ethylamino-[(4-methyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide (PubChem CID 111571270) has the molecular formula C22H44IN5O2 and a molecular weight of 537.53 g/mol. Its IUPAC name is 1-[[[ethylamino-[(4-methyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide.

Molecular Properties

Compound Name1-[[[ethylamino-[(4-methyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
PubChem CID111571270
Molecular FormulaC22H44IN5O2
Molecular Weight537.53 g/mol
Exact Mass537.25
IUPAC Name1-[[[ethylamino-[(4-methyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
SMILESCCN/C(=N\CC1(C(=O)N(C)C)CCCC1)NCC(CC(C)C)N1CCOCC1.I
InChIInChI=1S/C22H43N5O2.HI/c1-6-23-21(25-17-22(9-7-8-10-22)20(28)26(4)5)24-16-19(15-18(2)3)27-11-13-29-14-12-27;/h18-19H,6-17H2,1-5H3,(H2,23,24,25);1H
InChIKeyFGIJEAKCCXKPRP-UHFFFAOYSA-N
XLogP2.56
TPSA69.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.53
LogP ≤ 52.56
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[[[ethylamino-(2-pyrrolidin-1-ylbutylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 111571036
1-ethyl-2-[(1-hydroxycyclohexyl)methyl]-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide
CID 111998706
1-[[[ethylamino-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111570109
1-[[[ethylamino-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 111570906
1-[[[ethylamino-(4-morpholin-4-ylbutylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 111572316
N,N-dimethyl-1-[[[N'-methyl-N-(4-methyl-2-pyrrolidin-1-ylpentyl)carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide
CID 111569860
1-ethyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)-2-(2-morpholin-4-ylpropyl)guanidine
CID 111022093
1-ethyl-2-(2-methoxy-2-methylpropyl)-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 111607023
2-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-ethyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide
CID 111935752
1-[[[butylamino(ethylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111571749
1-ethyl-2-[(1-methylcyclopentyl)methyl]-3-(2-morpholin-4-ylpropyl)guanidine
CID 111760391
1-ethyl-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide
CID 111935992

Frequently Asked Questions

What is the IUPAC name of 1-[[[ethylamino-[(4-methyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide?
The IUPAC name of 1-[[[ethylamino-[(4-methyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide (CID 111571270) is 1-[[[ethylamino-[(4-methyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide.
What is the SMILES notation for 1-[[[ethylamino-[(4-methyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide?
The canonical SMILES for 1-[[[ethylamino-[(4-methyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide is CCN/C(=N\CC1(C(=O)N(C)C)CCCC1)NCC(CC(C)C)N1CCOCC1.I.
What is the InChIKey of 1-[[[ethylamino-[(4-methyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide?
The InChIKey is FGIJEAKCCXKPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N5O2.HI/c1-6-23-21(25-17-22(9-7-8-10-22)20(28)26(4)5)24-16-19(15-18(2)3)27-11-13-29-14-12-27;/h18-19H,6-17H2,1-5H3,(H2,23,24,25);1H.
What are the key properties of 1-[[[ethylamino-[(4-methyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide?
1-[[[ethylamino-[(4-methyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide has a molecular weight of 537.53 g/mol, XLogP of 2.56, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[ethylamino-[(4-methyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide is sourced from PubChem (CID 111571270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).