2-[[(cyclopentylamino)-[1-(oxolan-3-yloxy)propan-2-ylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide

C17H33IN4O3 — CID 110044690

IUPAC2-[[(cyclopentylamino)-[1-(oxolan-3-yloxy)propan-2-ylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCC(COC1CCOC1)N/C(=N\CC(=O)N(C)C)NC1CCCC1.I
InChIInChI=1S/C17H32N4O3.HI/c1-13(11-24-15-8-9-23-12-15)19-17(18-10-16(22)21(2)3)20-14-6-4-5-7-14;/h13-15H,4-12H2,1-3H3,(H2,18,19,20);1H
InChIKeyYMNIFYAGSAZLRV-UHFFFAOYSA-N
MW468.38 g/mol
LogP1.36
Rot. Bonds7

About 2-[[(cyclopentylamino)-[1-(oxolan-3-yloxy)propan-2-ylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide

2-[[(cyclopentylamino)-[1-(oxolan-3-yloxy)propan-2-ylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide (PubChem CID 110044690) has the molecular formula C17H33IN4O3 and a molecular weight of 468.38 g/mol. Its IUPAC name is 2-[[(cyclopentylamino)-[1-(oxolan-3-yloxy)propan-2-ylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[(cyclopentylamino)-[1-(oxolan-3-yloxy)propan-2-ylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
PubChem CID110044690
Molecular FormulaC17H33IN4O3
Molecular Weight468.38 g/mol
Exact Mass468.16
IUPAC Name2-[[(cyclopentylamino)-[1-(oxolan-3-yloxy)propan-2-ylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCC(COC1CCOC1)N/C(=N\CC(=O)N(C)C)NC1CCCC1.I
InChIInChI=1S/C17H32N4O3.HI/c1-13(11-24-15-8-9-23-12-15)19-17(18-10-16(22)21(2)3)20-14-6-4-5-7-14;/h13-15H,4-12H2,1-3H3,(H2,18,19,20);1H
InChIKeyYMNIFYAGSAZLRV-UHFFFAOYSA-N
XLogP1.36
TPSA75.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.38
LogP ≤ 51.36
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-[[(butan-2-ylamino)-[1-(oxolan-3-yloxy)propan-2-ylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110044754
N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-[1-(oxolan-3-yloxy)propan-2-ylamino]methylidene]amino]acetamide;hydroiodide
CID 110044710
N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[1-(oxolan-3-yloxy)propan-2-ylamino]methylidene]amino]acetamide;hydroiodide
CID 110044716
N,N-dimethyl-2-[[[1-(oxolan-3-yloxy)propan-2-ylamino]-(1,2,3,4-tetrahydronaphthalen-2-ylamino)methylidene]amino]acetamide
CID 110044727
2-[[butylamino-[1-(oxolan-3-yloxy)propan-2-ylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110044697
N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[1-(oxolan-3-yloxy)propan-2-ylamino]methylidene]amino]acetamide
CID 110044717
N,N-dimethyl-2-[[(2-methylsulfanylethylamino)-[1-(oxolan-3-yloxy)propan-2-ylamino]methylidene]amino]acetamide
CID 110044751
2-[[(3,4-dihydro-2H-chromen-4-ylamino)-[1-(oxolan-3-yloxy)propan-2-ylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110044694
N,N-dimethyl-2-[[[1-(oxolan-3-yloxy)propan-2-ylamino]-(thiophen-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 110044736
2-[[(butan-2-ylamino)-(cyclopropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 119115450
2-[[(cyclopentylamino)-(4-methylsulfonylbutan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110047616
2-[[(1-methoxypropan-2-ylamino)-(oxolan-3-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111906862

Frequently Asked Questions

What is the IUPAC name of 2-[[(cyclopentylamino)-[1-(oxolan-3-yloxy)propan-2-ylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The IUPAC name of 2-[[(cyclopentylamino)-[1-(oxolan-3-yloxy)propan-2-ylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide (CID 110044690) is 2-[[(cyclopentylamino)-[1-(oxolan-3-yloxy)propan-2-ylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide.
What is the SMILES notation for 2-[[(cyclopentylamino)-[1-(oxolan-3-yloxy)propan-2-ylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The canonical SMILES for 2-[[(cyclopentylamino)-[1-(oxolan-3-yloxy)propan-2-ylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide is CC(COC1CCOC1)N/C(=N\CC(=O)N(C)C)NC1CCCC1.I.
What is the InChIKey of 2-[[(cyclopentylamino)-[1-(oxolan-3-yloxy)propan-2-ylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The InChIKey is YMNIFYAGSAZLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O3.HI/c1-13(11-24-15-8-9-23-12-15)19-17(18-10-16(22)21(2)3)20-14-6-4-5-7-14;/h13-15H,4-12H2,1-3H3,(H2,18,19,20);1H.
What are the key properties of 2-[[(cyclopentylamino)-[1-(oxolan-3-yloxy)propan-2-ylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
2-[[(cyclopentylamino)-[1-(oxolan-3-yloxy)propan-2-ylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide has a molecular weight of 468.38 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(cyclopentylamino)-[1-(oxolan-3-yloxy)propan-2-ylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide is sourced from PubChem (CID 110044690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).