2-[[[[1-(2-ethoxyethyl)cyclopentyl]methylamino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide

C19H39IN4O2 — CID 110034452

IUPAC2-[[[[1-(2-ethoxyethyl)cyclopentyl]methylamino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCCOCCC1(CN/C(=N/CC(=O)N(C)C)NCC(C)C)CCCC1.I
InChIInChI=1S/C19H38N4O2.HI/c1-6-25-12-11-19(9-7-8-10-19)15-22-18(20-13-16(2)3)21-14-17(24)23(4)5;/h16H,6-15H2,1-5H3,(H2,20,21,22);1H
InChIKeyLSGDTJNXBGJFRN-UHFFFAOYSA-N
MW482.45 g/mol
LogP2.87
Rot. Bonds10

About 2-[[[[1-(2-ethoxyethyl)cyclopentyl]methylamino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide

2-[[[[1-(2-ethoxyethyl)cyclopentyl]methylamino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide (PubChem CID 110034452) has the molecular formula C19H39IN4O2 and a molecular weight of 482.45 g/mol. Its IUPAC name is 2-[[[[1-(2-ethoxyethyl)cyclopentyl]methylamino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[[[1-(2-ethoxyethyl)cyclopentyl]methylamino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
PubChem CID110034452
Molecular FormulaC19H39IN4O2
Molecular Weight482.45 g/mol
Exact Mass482.21
IUPAC Name2-[[[[1-(2-ethoxyethyl)cyclopentyl]methylamino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCCOCCC1(CN/C(=N/CC(=O)N(C)C)NCC(C)C)CCCC1.I
InChIInChI=1S/C19H38N4O2.HI/c1-6-25-12-11-19(9-7-8-10-19)15-22-18(20-13-16(2)3)21-14-17(24)23(4)5;/h16H,6-15H2,1-5H3,(H2,20,21,22);1H
InChIKeyLSGDTJNXBGJFRN-UHFFFAOYSA-N
XLogP2.87
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.45
LogP ≤ 52.87
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-[[[[1-(2-ethoxyethyl)cyclopentyl]methylamino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide with MolForge

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Related Compounds

2-[[[[1-(2-ethoxyethyl)cyclopentyl]methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110033468
2-[[[[1-(2-ethoxyethyl)cyclopentyl]methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110033469
2-[[(3-ethoxypropylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111178126
2-[[[[1-(2-methoxyethyl)cyclobutyl]methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110036857
2-[[(cyclohexylmethylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111767470
2-[[(cyclohexylamino)-[[1-(2-methoxyethyl)cyclobutyl]methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110035934
2-[[[(1-ethylcyclobutyl)methylamino]-(prop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110043590
2-[[[(1-ethylcyclobutyl)methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110043568
N,N-dimethyl-2-[[(3-methylbutylamino)-(2-methylpropylamino)methylidene]amino]acetamide
CID 111494828
N,N-dimethyl-2-[[(3-methylbutan-2-ylamino)-(2-methylpropylamino)methylidene]amino]acetamide;hydroiodide
CID 110037260
N,N-dimethyl-2-[[[[1-(2-methylpropyl)cyclopentyl]methylamino]-(oxolan-3-ylmethylamino)methylidene]amino]acetamide
CID 110045103
2-[[(3-ethoxypropylamino)-[(2-methyloxolan-2-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110045158

Frequently Asked Questions

What is the IUPAC name of 2-[[[[1-(2-ethoxyethyl)cyclopentyl]methylamino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The IUPAC name of 2-[[[[1-(2-ethoxyethyl)cyclopentyl]methylamino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide (CID 110034452) is 2-[[[[1-(2-ethoxyethyl)cyclopentyl]methylamino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide.
What is the SMILES notation for 2-[[[[1-(2-ethoxyethyl)cyclopentyl]methylamino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The canonical SMILES for 2-[[[[1-(2-ethoxyethyl)cyclopentyl]methylamino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide is CCOCCC1(CN/C(=N/CC(=O)N(C)C)NCC(C)C)CCCC1.I.
What is the InChIKey of 2-[[[[1-(2-ethoxyethyl)cyclopentyl]methylamino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The InChIKey is LSGDTJNXBGJFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N4O2.HI/c1-6-25-12-11-19(9-7-8-10-19)15-22-18(20-13-16(2)3)21-14-17(24)23(4)5;/h16H,6-15H2,1-5H3,(H2,20,21,22);1H.
What are the key properties of 2-[[[[1-(2-ethoxyethyl)cyclopentyl]methylamino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
2-[[[[1-(2-ethoxyethyl)cyclopentyl]methylamino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide has a molecular weight of 482.45 g/mol, XLogP of 2.87, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[[1-(2-ethoxyethyl)cyclopentyl]methylamino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide is sourced from PubChem (CID 110034452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).