2-[[(3-ethoxypropylamino)-[(4-ethylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide

C18H37IN4O2 — CID 110039470

IUPAC2-[[(3-ethoxypropylamino)-[(4-ethylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCCOCCCN/C(=N\CC(=O)N(C)C)NC1CCC(CC)CC1.I
InChIInChI=1S/C18H36N4O2.HI/c1-5-15-8-10-16(11-9-15)21-18(19-12-7-13-24-6-2)20-14-17(23)22(3)4;/h15-16H,5-14H2,1-4H3,(H2,19,20,21);1H
InChIKeyVPAZIOUALNGPBL-UHFFFAOYSA-N
MW468.42 g/mol
LogP2.62
Rot. Bonds9

About 2-[[(3-ethoxypropylamino)-[(4-ethylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide

2-[[(3-ethoxypropylamino)-[(4-ethylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide (PubChem CID 110039470) has the molecular formula C18H37IN4O2 and a molecular weight of 468.42 g/mol. Its IUPAC name is 2-[[(3-ethoxypropylamino)-[(4-ethylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[(3-ethoxypropylamino)-[(4-ethylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
PubChem CID110039470
Molecular FormulaC18H37IN4O2
Molecular Weight468.42 g/mol
Exact Mass468.20
IUPAC Name2-[[(3-ethoxypropylamino)-[(4-ethylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCCOCCCN/C(=N\CC(=O)N(C)C)NC1CCC(CC)CC1.I
InChIInChI=1S/C18H36N4O2.HI/c1-5-15-8-10-16(11-9-15)21-18(19-12-7-13-24-6-2)20-14-17(23)22(3)4;/h15-16H,5-14H2,1-4H3,(H2,19,20,21);1H
InChIKeyVPAZIOUALNGPBL-UHFFFAOYSA-N
XLogP2.62
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.42
LogP ≤ 52.62
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'}

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Related Compounds

2-[[(3-ethoxypropylamino)-[(4-propylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110040388
2-[[(cyclopentylamino)-(4-ethoxybutylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111842506
2-[[(cyclopentylamino)-(2-ethoxyethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111842470
2-[[(3-butoxypropylamino)-(cyclopentylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111841524
2-[[(3-ethoxypropylamino)-(3-methoxypropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110975876
2-[[(3-ethoxypropylamino)-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110039156
2-[[[(4,4-dimethylcyclohexyl)methylamino]-(3-ethoxypropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110036534
2-[[(3-ethoxypropylamino)-[[1-(1-phenylethyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 110040960
2-[[(cyclohexylamino)-(pentylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111128977
2-[[(3-ethoxypropylamino)-[3-(oxolan-3-ylmethoxy)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111647821
2-[[(3-ethoxypropylamino)-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110039314
2-[[(3-ethoxypropylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111178126

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-ethoxypropylamino)-[(4-ethylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The IUPAC name of 2-[[(3-ethoxypropylamino)-[(4-ethylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide (CID 110039470) is 2-[[(3-ethoxypropylamino)-[(4-ethylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide.
What is the SMILES notation for 2-[[(3-ethoxypropylamino)-[(4-ethylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The canonical SMILES for 2-[[(3-ethoxypropylamino)-[(4-ethylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide is CCOCCCN/C(=N\CC(=O)N(C)C)NC1CCC(CC)CC1.I.
What is the InChIKey of 2-[[(3-ethoxypropylamino)-[(4-ethylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The InChIKey is VPAZIOUALNGPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4O2.HI/c1-5-15-8-10-16(11-9-15)21-18(19-12-7-13-24-6-2)20-14-17(23)22(3)4;/h15-16H,5-14H2,1-4H3,(H2,19,20,21);1H.
What are the key properties of 2-[[(3-ethoxypropylamino)-[(4-ethylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
2-[[(3-ethoxypropylamino)-[(4-ethylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide has a molecular weight of 468.42 g/mol, XLogP of 2.62, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-ethoxypropylamino)-[(4-ethylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide is sourced from PubChem (CID 110039470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).