2-[[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide

C19H32IN5O2 — CID 110058225

IUPAC2-[[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCC1CC(N/C(=N/CC(=O)N(C)C)NCCc2ccco2)CN1C1CC1.I
InChIInChI=1S/C19H31N5O2.HI/c1-14-11-15(13-24(14)16-6-7-16)22-19(21-12-18(25)23(2)3)20-9-8-17-5-4-10-26-17;/h4-5,10,14-16H,6-9,11-13H2,1-3H3,(H2,20,21,22);1H
InChIKeyCOVDEUQTUAYEAS-UHFFFAOYSA-N
MW489.40 g/mol
LogP1.69
Rot. Bonds7

About 2-[[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide

2-[[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide (PubChem CID 110058225) has the molecular formula C19H32IN5O2 and a molecular weight of 489.40 g/mol. Its IUPAC name is 2-[[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
PubChem CID110058225
Molecular FormulaC19H32IN5O2
Molecular Weight489.40 g/mol
Exact Mass489.16
IUPAC Name2-[[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCC1CC(N/C(=N/CC(=O)N(C)C)NCCc2ccco2)CN1C1CC1.I
InChIInChI=1S/C19H31N5O2.HI/c1-14-11-15(13-24(14)16-6-7-16)22-19(21-12-18(25)23(2)3)20-9-8-17-5-4-10-26-17;/h4-5,10,14-16H,6-9,11-13H2,1-3H3,(H2,20,21,22);1H
InChIKeyCOVDEUQTUAYEAS-UHFFFAOYSA-N
XLogP1.69
TPSA73.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.40
LogP ≤ 51.69
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

2-[[(cyclopent-3-en-1-ylamino)-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110059657
2-[[[2-(furan-2-yl)ethylamino]-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111907088
1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-[2-(furan-2-yl)ethyl]-2-(oxolan-3-ylmethyl)guanidine
CID 110058216
1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-[2-(furan-2-yl)ethyl]-2-(oxan-2-ylmethyl)guanidine
CID 110058262
2-[[[(3-ethylsulfanylcyclohexyl)amino]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110056719
2-[[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110044638
2-[[[(1-benzylpiperidin-4-yl)amino]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111354056
2-[[[2-(furan-2-yl)ethylamino]-[(2-pentan-3-yloxan-4-yl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110061435
2-[[[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]amino]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110059736
2-[[[(3-ethylsulfinylcyclohexyl)amino]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110057051
2-[[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110044639
2-[[[[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]amino]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110058669

Frequently Asked Questions

What is the IUPAC name of 2-[[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The IUPAC name of 2-[[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide (CID 110058225) is 2-[[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide.
What is the SMILES notation for 2-[[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The canonical SMILES for 2-[[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide is CC1CC(N/C(=N/CC(=O)N(C)C)NCCc2ccco2)CN1C1CC1.I.
What is the InChIKey of 2-[[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The InChIKey is COVDEUQTUAYEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2.HI/c1-14-11-15(13-24(14)16-6-7-16)22-19(21-12-18(25)23(2)3)20-9-8-17-5-4-10-26-17;/h4-5,10,14-16H,6-9,11-13H2,1-3H3,(H2,20,21,22);1H.
What are the key properties of 2-[[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
2-[[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide has a molecular weight of 489.40 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide is sourced from PubChem (CID 110058225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).