2-[[[2-(cyclopropylmethoxy)ethyl-methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide

C15H31IN4O3 — CID 110045610

IUPAC2-[[[2-(cyclopropylmethoxy)ethyl-methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCOCCN/C(=N\CC(=O)N(C)C)N(C)CCOCC1CC1.I
InChIInChI=1S/C15H30N4O3.HI/c1-18(2)14(20)11-17-15(16-7-9-21-4)19(3)8-10-22-12-13-5-6-13;/h13H,5-12H2,1-4H3,(H,16,17);1H
InChIKeyZJPUVZVVTPKZKY-UHFFFAOYSA-N
MW442.34 g/mol
LogP0.64
Rot. Bonds10

About 2-[[[2-(cyclopropylmethoxy)ethyl-methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide

2-[[[2-(cyclopropylmethoxy)ethyl-methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide (PubChem CID 110045610) has the molecular formula C15H31IN4O3 and a molecular weight of 442.34 g/mol. Its IUPAC name is 2-[[[2-(cyclopropylmethoxy)ethyl-methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[[2-(cyclopropylmethoxy)ethyl-methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
PubChem CID110045610
Molecular FormulaC15H31IN4O3
Molecular Weight442.34 g/mol
Exact Mass442.14
IUPAC Name2-[[[2-(cyclopropylmethoxy)ethyl-methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCOCCN/C(=N\CC(=O)N(C)C)N(C)CCOCC1CC1.I
InChIInChI=1S/C15H30N4O3.HI/c1-18(2)14(20)11-17-15(16-7-9-21-4)19(3)8-10-22-12-13-5-6-13;/h13H,5-12H2,1-4H3,(H,16,17);1H
InChIKeyZJPUVZVVTPKZKY-UHFFFAOYSA-N
XLogP0.64
TPSA66.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.34
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[[[2-(cyclopropylmethoxy)ethyl-methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110045598
2-[[[2-(cyclopropylmethoxy)ethyl-methylamino]-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110045601
1-[2-(cyclopropylmethoxy)ethyl]-3-(2-methoxyethyl)-1-methylthiourea
CID 115687552
2-[[(2-methoxyethylamino)-[methyl-[2-(4-methylphenoxy)ethyl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 110038503
2-[[(cyclohexylmethylamino)-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111491784
1-[2-(cyclopropylmethoxy)ethyl]-3-ethyl-1,2-dimethylguanidine;hydroiodide
CID 75514182
1-[2-(cyclopropylmethoxy)ethyl]-3-[2-(furan-2-yl)ethyl]-1-methyl-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 110058769
2-[[[(4-ethoxyphenyl)methyl-methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111541724
2-[[[3-(cyclopropylmethoxy)propylamino]-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111751652
N-[2-(cyclopropylmethoxy)ethyl]-2-(cyclopropylmethylamino)-N-methylacetamide;hydrochloride
CID 119813290
2-[[butylamino-[butyl(methyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 111160108
2-[[[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111748619

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(cyclopropylmethoxy)ethyl-methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The IUPAC name of 2-[[[2-(cyclopropylmethoxy)ethyl-methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide (CID 110045610) is 2-[[[2-(cyclopropylmethoxy)ethyl-methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide.
What is the SMILES notation for 2-[[[2-(cyclopropylmethoxy)ethyl-methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The canonical SMILES for 2-[[[2-(cyclopropylmethoxy)ethyl-methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide is COCCN/C(=N\CC(=O)N(C)C)N(C)CCOCC1CC1.I.
What is the InChIKey of 2-[[[2-(cyclopropylmethoxy)ethyl-methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The InChIKey is ZJPUVZVVTPKZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O3.HI/c1-18(2)14(20)11-17-15(16-7-9-21-4)19(3)8-10-22-12-13-5-6-13;/h13H,5-12H2,1-4H3,(H,16,17);1H.
What are the key properties of 2-[[[2-(cyclopropylmethoxy)ethyl-methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
2-[[[2-(cyclopropylmethoxy)ethyl-methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide has a molecular weight of 442.34 g/mol, XLogP of 0.64, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(cyclopropylmethoxy)ethyl-methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide is sourced from PubChem (CID 110045610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).