2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-[methyl-[(2-methylfuran-3-yl)methyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide

C19H34IN5O2 — CID 110048588

IUPAC2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-[methyl-[(2-methylfuran-3-yl)methyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCCN1CCCC1CN/C(=N/CC(=O)N(C)C)N(C)Cc1ccoc1C.I
InChIInChI=1S/C19H33N5O2.HI/c1-6-24-10-7-8-17(24)12-20-19(21-13-18(25)22(3)4)23(5)14-16-9-11-26-15(16)2;/h9,11,17H,6-8,10,12-14H2,1-5H3,(H,20,21);1H
InChIKeyCBDVZJVLUBGRFV-UHFFFAOYSA-N
MW491.42 g/mol
LogP2.16
Rot. Bonds7

About 2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-[methyl-[(2-methylfuran-3-yl)methyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide

2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-[methyl-[(2-methylfuran-3-yl)methyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide (PubChem CID 110048588) has the molecular formula C19H34IN5O2 and a molecular weight of 491.42 g/mol. Its IUPAC name is 2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-[methyl-[(2-methylfuran-3-yl)methyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-[methyl-[(2-methylfuran-3-yl)methyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
PubChem CID110048588
Molecular FormulaC19H34IN5O2
Molecular Weight491.42 g/mol
Exact Mass491.18
IUPAC Name2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-[methyl-[(2-methylfuran-3-yl)methyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCCN1CCCC1CN/C(=N/CC(=O)N(C)C)N(C)Cc1ccoc1C.I
InChIInChI=1S/C19H33N5O2.HI/c1-6-24-10-7-8-17(24)12-20-19(21-13-18(25)22(3)4)23(5)14-16-9-11-26-15(16)2;/h9,11,17H,6-8,10,12-14H2,1-5H3,(H,20,21);1H
InChIKeyCBDVZJVLUBGRFV-UHFFFAOYSA-N
XLogP2.16
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
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

2-[[ethylamino-[methyl-[(2-methylfuran-3-yl)methyl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 110048597
2-[[(cyclohexylamino)-[methyl-[(2-methylfuran-3-yl)methyl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 110048599
2-[[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110038754
2-[[(cyclohexylmethylamino)-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111841331
2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-[2-(4-fluoro-2-methylphenyl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110044950
2-[[(butan-2-ylamino)-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111492073
2-[[(cyclohexylmethylamino)-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111841332
2-[[[2-(2-chlorophenyl)ethylamino]-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111842536
2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-[2-(5-methyl-1,3-thiazol-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110034816
2-[[[(1-ethylcyclobutyl)methylamino]-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110043572
2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-[2-(5-methyl-1,3-thiazol-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110034817
2-[[N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-[(3-methylphenyl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide
CID 111842636

Frequently Asked Questions

What is the IUPAC name of 2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-[methyl-[(2-methylfuran-3-yl)methyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The IUPAC name of 2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-[methyl-[(2-methylfuran-3-yl)methyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide (CID 110048588) is 2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-[methyl-[(2-methylfuran-3-yl)methyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide.
What is the SMILES notation for 2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-[methyl-[(2-methylfuran-3-yl)methyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The canonical SMILES for 2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-[methyl-[(2-methylfuran-3-yl)methyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide is CCN1CCCC1CN/C(=N/CC(=O)N(C)C)N(C)Cc1ccoc1C.I.
What is the InChIKey of 2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-[methyl-[(2-methylfuran-3-yl)methyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The InChIKey is CBDVZJVLUBGRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O2.HI/c1-6-24-10-7-8-17(24)12-20-19(21-13-18(25)22(3)4)23(5)14-16-9-11-26-15(16)2;/h9,11,17H,6-8,10,12-14H2,1-5H3,(H,20,21);1H.
What are the key properties of 2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-[methyl-[(2-methylfuran-3-yl)methyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-[methyl-[(2-methylfuran-3-yl)methyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide has a molecular weight of 491.42 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-[methyl-[(2-methylfuran-3-yl)methyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide is sourced from PubChem (CID 110048588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).