N,N-dimethyl-2-[[[(2-methylcyclopropyl)amino]-(propan-2-ylamino)methylidene]amino]acetamide;hydroiodide

C12H25IN4O — CID 119145472

IUPACN,N-dimethyl-2-[[[(2-methylcyclopropyl)amino]-(propan-2-ylamino)methylidene]amino]acetamide;hydroiodide
SMILESCC(C)N/C(=N\CC(=O)N(C)C)NC1CC1C.I
InChIInChI=1S/C12H24N4O.HI/c1-8(2)14-12(15-10-6-9(10)3)13-7-11(17)16(4)5;/h8-10H,6-7H2,1-5H3,(H2,13,14,15);1H
InChIKeyRDDIGAWVKRMXCI-UHFFFAOYSA-N
MW368.26 g/mol
LogP1.04
Rot. Bonds4

About N,N-dimethyl-2-[[[(2-methylcyclopropyl)amino]-(propan-2-ylamino)methylidene]amino]acetamide;hydroiodide

N,N-dimethyl-2-[[[(2-methylcyclopropyl)amino]-(propan-2-ylamino)methylidene]amino]acetamide;hydroiodide (PubChem CID 119145472) has the molecular formula C12H25IN4O and a molecular weight of 368.26 g/mol. Its IUPAC name is N,N-dimethyl-2-[[[(2-methylcyclopropyl)amino]-(propan-2-ylamino)methylidene]amino]acetamide;hydroiodide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[[(2-methylcyclopropyl)amino]-(propan-2-ylamino)methylidene]amino]acetamide;hydroiodide
PubChem CID119145472
Molecular FormulaC12H25IN4O
Molecular Weight368.26 g/mol
Exact Mass368.11
IUPAC NameN,N-dimethyl-2-[[[(2-methylcyclopropyl)amino]-(propan-2-ylamino)methylidene]amino]acetamide;hydroiodide
SMILESCC(C)N/C(=N\CC(=O)N(C)C)NC1CC1C.I
InChIInChI=1S/C12H24N4O.HI/c1-8(2)14-12(15-10-6-9(10)3)13-7-11(17)16(4)5;/h8-10H,6-7H2,1-5H3,(H2,13,14,15);1H
InChIKeyRDDIGAWVKRMXCI-UHFFFAOYSA-N
XLogP1.04
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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)-[(2-methylcyclopropyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111545230
2-[[N'-[2-(dimethylamino)-2-oxoethyl]-N-(2-methylcyclopropyl)carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 119149700
2-[[butylamino-[(2-methylcyclopropyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 111365555
N,N-dimethyl-2-[[(propan-2-ylamino)-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]acetamide
CID 119139955
N,N-dimethyl-2-[[(3-methylbutylamino)-[(2-methylcyclohexyl)amino]methylidene]amino]acetamide;hydroiodide
CID 111494855
N,N-dimethyl-2-[[(propan-2-ylamino)-(propylamino)methylidene]amino]acetamide;hydroiodide
CID 111541269
2-[[(butan-2-ylamino)-[(3-methylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 110039577
2-[[(butan-2-ylamino)-(cyclopropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 119115450
N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-(propylamino)methylidene]amino]acetamide;hydroiodide
CID 111769730
N,N-dimethyl-2-[[(2-methylsulfanylethylamino)-(propan-2-ylamino)methylidene]amino]acetamide;hydroiodide
CID 111751159
N,N-dimethyl-2-[[[(3-methylcyclohexyl)amino]-(2-methylpropylamino)methylidene]amino]acetamide
CID 110039537
2-[[(cyclohexylamino)-(cyclopropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 119115662

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[[(2-methylcyclopropyl)amino]-(propan-2-ylamino)methylidene]amino]acetamide;hydroiodide?
The IUPAC name of N,N-dimethyl-2-[[[(2-methylcyclopropyl)amino]-(propan-2-ylamino)methylidene]amino]acetamide;hydroiodide (CID 119145472) is N,N-dimethyl-2-[[[(2-methylcyclopropyl)amino]-(propan-2-ylamino)methylidene]amino]acetamide;hydroiodide.
What is the SMILES notation for N,N-dimethyl-2-[[[(2-methylcyclopropyl)amino]-(propan-2-ylamino)methylidene]amino]acetamide;hydroiodide?
The canonical SMILES for N,N-dimethyl-2-[[[(2-methylcyclopropyl)amino]-(propan-2-ylamino)methylidene]amino]acetamide;hydroiodide is CC(C)N/C(=N\CC(=O)N(C)C)NC1CC1C.I.
What is the InChIKey of N,N-dimethyl-2-[[[(2-methylcyclopropyl)amino]-(propan-2-ylamino)methylidene]amino]acetamide;hydroiodide?
The InChIKey is RDDIGAWVKRMXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O.HI/c1-8(2)14-12(15-10-6-9(10)3)13-7-11(17)16(4)5;/h8-10H,6-7H2,1-5H3,(H2,13,14,15);1H.
What are the key properties of N,N-dimethyl-2-[[[(2-methylcyclopropyl)amino]-(propan-2-ylamino)methylidene]amino]acetamide;hydroiodide?
N,N-dimethyl-2-[[[(2-methylcyclopropyl)amino]-(propan-2-ylamino)methylidene]amino]acetamide;hydroiodide has a molecular weight of 368.26 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[[(2-methylcyclopropyl)amino]-(propan-2-ylamino)methylidene]amino]acetamide;hydroiodide is sourced from PubChem (CID 119145472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).