2-[[[2-(furan-2-yl)ethylamino]-[(2-methyl-2-piperidin-1-ylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide

C20H35N5O2 — CID 111907101

IUPAC2-[[[2-(furan-2-yl)ethylamino]-[(2-methyl-2-piperidin-1-ylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C/N=C(\NCCc1ccco1)NCC(C)(C)N1CCCCC1
InChIInChI=1S/C20H35N5O2/c1-20(2,25-12-6-5-7-13-25)16-23-19(22-15-18(26)24(3)4)21-11-10-17-9-8-14-27-17/h8-9,14H,5-7,10-13,15-16H2,1-4H3,(H2,21,22,23)
InChIKeyGDOOIDSFPYJSKL-UHFFFAOYSA-N
MW377.53 g/mol
LogP1.71
Rot. Bonds8

About 2-[[[2-(furan-2-yl)ethylamino]-[(2-methyl-2-piperidin-1-ylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide

2-[[[2-(furan-2-yl)ethylamino]-[(2-methyl-2-piperidin-1-ylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide (PubChem CID 111907101) has the molecular formula C20H35N5O2 and a molecular weight of 377.53 g/mol. Its IUPAC name is 2-[[[2-(furan-2-yl)ethylamino]-[(2-methyl-2-piperidin-1-ylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[[2-(furan-2-yl)ethylamino]-[(2-methyl-2-piperidin-1-ylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide
PubChem CID111907101
Molecular FormulaC20H35N5O2
Molecular Weight377.53 g/mol
Exact Mass377.28
IUPAC Name2-[[[2-(furan-2-yl)ethylamino]-[(2-methyl-2-piperidin-1-ylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C/N=C(\NCCc1ccco1)NCC(C)(C)N1CCCCC1
InChIInChI=1S/C20H35N5O2/c1-20(2,25-12-6-5-7-13-25)16-23-19(22-15-18(26)24(3)4)21-11-10-17-9-8-14-27-17/h8-9,14H,5-7,10-13,15-16H2,1-4H3,(H2,21,22,23)
InChIKeyGDOOIDSFPYJSKL-UHFFFAOYSA-N
XLogP1.71
TPSA73.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 51.71
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'}

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Related Compounds

2-[[[2-(furan-2-yl)ethylamino]-piperidin-1-ylmethylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110053887
2-[[[2-(furan-2-yl)ethylamino]-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111751507
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine
CID 111320348
2-[[butylamino-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111354969
2-[[[2-(furan-2-yl)ethylamino]-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111751506
2-[[[2-(furan-2-yl)ethylamino]-[3-(2-methylpiperidin-1-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111907429
2-[[[2-(2-chlorophenyl)ethylamino]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111907536
2-[[[2-(furan-2-yl)ethylamino]-(3-phenylpropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111903603
1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine
CID 111542314
2-[[[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]amino]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110059736
1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111542313
2-[[[2-(furan-2-yl)ethylamino]-(2-phenylsulfanylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111842330

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(furan-2-yl)ethylamino]-[(2-methyl-2-piperidin-1-ylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[[2-(furan-2-yl)ethylamino]-[(2-methyl-2-piperidin-1-ylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide (CID 111907101) is 2-[[[2-(furan-2-yl)ethylamino]-[(2-methyl-2-piperidin-1-ylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[[2-(furan-2-yl)ethylamino]-[(2-methyl-2-piperidin-1-ylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[[2-(furan-2-yl)ethylamino]-[(2-methyl-2-piperidin-1-ylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide is CN(C)C(=O)C/N=C(\NCCc1ccco1)NCC(C)(C)N1CCCCC1.
What is the InChIKey of 2-[[[2-(furan-2-yl)ethylamino]-[(2-methyl-2-piperidin-1-ylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is GDOOIDSFPYJSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5O2/c1-20(2,25-12-6-5-7-13-25)16-23-19(22-15-18(26)24(3)4)21-11-10-17-9-8-14-27-17/h8-9,14H,5-7,10-13,15-16H2,1-4H3,(H2,21,22,23).
What are the key properties of 2-[[[2-(furan-2-yl)ethylamino]-[(2-methyl-2-piperidin-1-ylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide?
2-[[[2-(furan-2-yl)ethylamino]-[(2-methyl-2-piperidin-1-ylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 377.53 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(furan-2-yl)ethylamino]-[(2-methyl-2-piperidin-1-ylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 111907101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).