2-[[N'-[2-(dimethylamino)-2-oxoethyl]-N-(2-methylcyclopropyl)carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide

C13H26IN5O2 — CID 119149700

IUPAC2-[[N'-[2-(dimethylamino)-2-oxoethyl]-N-(2-methylcyclopropyl)carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCC1CC1N/C(=N/CC(=O)N(C)C)NCC(=O)N(C)C.I
InChIInChI=1S/C13H25N5O2.HI/c1-9-6-10(9)16-13(14-7-11(19)17(2)3)15-8-12(20)18(4)5;/h9-10H,6-8H2,1-5H3,(H2,14,15,16);1H
InChIKeyKIUAQGJQQXEBGK-UHFFFAOYSA-N
MW411.29 g/mol
LogP-0.28
Rot. Bonds5

About 2-[[N'-[2-(dimethylamino)-2-oxoethyl]-N-(2-methylcyclopropyl)carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide

2-[[N'-[2-(dimethylamino)-2-oxoethyl]-N-(2-methylcyclopropyl)carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide (PubChem CID 119149700) has the molecular formula C13H26IN5O2 and a molecular weight of 411.29 g/mol. Its IUPAC name is 2-[[N'-[2-(dimethylamino)-2-oxoethyl]-N-(2-methylcyclopropyl)carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[N'-[2-(dimethylamino)-2-oxoethyl]-N-(2-methylcyclopropyl)carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
PubChem CID119149700
Molecular FormulaC13H26IN5O2
Molecular Weight411.29 g/mol
Exact Mass411.11
IUPAC Name2-[[N'-[2-(dimethylamino)-2-oxoethyl]-N-(2-methylcyclopropyl)carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCC1CC1N/C(=N/CC(=O)N(C)C)NCC(=O)N(C)C.I
InChIInChI=1S/C13H25N5O2.HI/c1-9-6-10(9)16-13(14-7-11(19)17(2)3)15-8-12(20)18(4)5;/h9-10H,6-8H2,1-5H3,(H2,14,15,16);1H
InChIKeyKIUAQGJQQXEBGK-UHFFFAOYSA-N
XLogP-0.28
TPSA77.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.29
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[[butylamino-[(2-methylcyclopropyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 111365555
N,N-dimethyl-2-[[[(2-methylcyclopropyl)amino]-(propan-2-ylamino)methylidene]amino]acetamide;hydroiodide
CID 119145472
2-[[(butan-2-ylamino)-[(2-methylcyclopropyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111545230
3-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]-N,N-dimethylpropanamide
CID 111961971
N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-(propylamino)methylidene]amino]acetamide;hydroiodide
CID 111769730
N,N-dimethyl-2-[[(3-methylbutylamino)-[(2-methylcyclohexyl)amino]methylidene]amino]acetamide;hydroiodide
CID 111494855
2-[[[(2-cyclohexylcyclopropyl)amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111775775
N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-(6-methylsulfanylhexylamino)methylidene]amino]acetamide;hydroiodide
CID 110033792
2-[[(cyclopent-3-en-1-ylamino)-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110047202
2-[[[(1-benzylpiperidin-4-yl)amino]-[(2-methylcyclopropyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 111365275
N-tert-butyl-2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]acetamide;hydroiodide
CID 111383755
2-[[N'-[(2-fluorophenyl)methyl]-N-(2-methylcyclohexyl)carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 111770084

Frequently Asked Questions

What is the IUPAC name of 2-[[N'-[2-(dimethylamino)-2-oxoethyl]-N-(2-methylcyclopropyl)carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide?
The IUPAC name of 2-[[N'-[2-(dimethylamino)-2-oxoethyl]-N-(2-methylcyclopropyl)carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide (CID 119149700) is 2-[[N'-[2-(dimethylamino)-2-oxoethyl]-N-(2-methylcyclopropyl)carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide.
What is the SMILES notation for 2-[[N'-[2-(dimethylamino)-2-oxoethyl]-N-(2-methylcyclopropyl)carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide?
The canonical SMILES for 2-[[N'-[2-(dimethylamino)-2-oxoethyl]-N-(2-methylcyclopropyl)carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide is CC1CC1N/C(=N/CC(=O)N(C)C)NCC(=O)N(C)C.I.
What is the InChIKey of 2-[[N'-[2-(dimethylamino)-2-oxoethyl]-N-(2-methylcyclopropyl)carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide?
The InChIKey is KIUAQGJQQXEBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2.HI/c1-9-6-10(9)16-13(14-7-11(19)17(2)3)15-8-12(20)18(4)5;/h9-10H,6-8H2,1-5H3,(H2,14,15,16);1H.
What are the key properties of 2-[[N'-[2-(dimethylamino)-2-oxoethyl]-N-(2-methylcyclopropyl)carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide?
2-[[N'-[2-(dimethylamino)-2-oxoethyl]-N-(2-methylcyclopropyl)carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide has a molecular weight of 411.29 g/mol, XLogP of -0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[N'-[2-(dimethylamino)-2-oxoethyl]-N-(2-methylcyclopropyl)carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide is sourced from PubChem (CID 119149700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).