N-benzyl-2-[[(cyclopropylamino)-(oxolan-2-ylmethylamino)methylidene]amino]-N-methylacetamide;hydroiodide

C19H29IN4O2 — CID 71876148

IUPACN-benzyl-2-[[(cyclopropylamino)-(oxolan-2-ylmethylamino)methylidene]amino]-N-methylacetamide;hydroiodide
SMILESCN(Cc1ccccc1)C(=O)C/N=C(\NCC1CCCO1)NC1CC1.I
InChIInChI=1S/C19H28N4O2.HI/c1-23(14-15-6-3-2-4-7-15)18(24)13-21-19(22-16-9-10-16)20-12-17-8-5-11-25-17;/h2-4,6-7,16-17H,5,8-14H2,1H3,(H2,20,21,22);1H
InChIKeyAFBPGCJHQVAWET-UHFFFAOYSA-N
MW472.37 g/mol
LogP2.14
Rot. Bonds7

About N-benzyl-2-[[(cyclopropylamino)-(oxolan-2-ylmethylamino)methylidene]amino]-N-methylacetamide;hydroiodide

N-benzyl-2-[[(cyclopropylamino)-(oxolan-2-ylmethylamino)methylidene]amino]-N-methylacetamide;hydroiodide (PubChem CID 71876148) has the molecular formula C19H29IN4O2 and a molecular weight of 472.37 g/mol. Its IUPAC name is N-benzyl-2-[[(cyclopropylamino)-(oxolan-2-ylmethylamino)methylidene]amino]-N-methylacetamide;hydroiodide.

Molecular Properties

Compound NameN-benzyl-2-[[(cyclopropylamino)-(oxolan-2-ylmethylamino)methylidene]amino]-N-methylacetamide;hydroiodide
PubChem CID71876148
Molecular FormulaC19H29IN4O2
Molecular Weight472.37 g/mol
Exact Mass472.13
IUPAC NameN-benzyl-2-[[(cyclopropylamino)-(oxolan-2-ylmethylamino)methylidene]amino]-N-methylacetamide;hydroiodide
SMILESCN(Cc1ccccc1)C(=O)C/N=C(\NCC1CCCO1)NC1CC1.I
InChIInChI=1S/C19H28N4O2.HI/c1-23(14-15-6-3-2-4-7-15)18(24)13-21-19(22-16-9-10-16)20-12-17-8-5-11-25-17;/h2-4,6-7,16-17H,5,8-14H2,1H3,(H2,20,21,22);1H
InChIKeyAFBPGCJHQVAWET-UHFFFAOYSA-N
XLogP2.14
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.37
LogP ≤ 52.14
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

N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-[(4-phenylcyclohexyl)amino]methylidene]amino]acetamide;hydroiodide
CID 110039494
N,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-[[1-(1-phenylethyl)piperidin-4-yl]amino]methylidene]amino]acetamide;hydroiodide
CID 110040963
N'-benzyl-N'-methyl-N-(oxolan-2-ylmethyl)propanediamide
CID 108943617
2-[[[(1-benzyl-5-methylpyrrolidin-3-yl)amino]-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110046684
2-[[(cyclopentylamino)-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111495888
N,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-(2-phenylethylamino)methylidene]amino]acetamide
CID 111538345
2-[[[(1-benzyl-5-methylpyrrolidin-3-yl)amino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110046662
N,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-[(4-propan-2-yloxycyclohexyl)amino]methylidene]amino]acetamide;hydroiodide
CID 110048810
2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110043159
2-[[(cyclopent-3-en-1-ylamino)-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110047195
N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-(3-phenylpropylamino)methylidene]amino]acetamide
CID 111903609
N,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]acetamide
CID 110039319

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[(cyclopropylamino)-(oxolan-2-ylmethylamino)methylidene]amino]-N-methylacetamide;hydroiodide?
The IUPAC name of N-benzyl-2-[[(cyclopropylamino)-(oxolan-2-ylmethylamino)methylidene]amino]-N-methylacetamide;hydroiodide (CID 71876148) is N-benzyl-2-[[(cyclopropylamino)-(oxolan-2-ylmethylamino)methylidene]amino]-N-methylacetamide;hydroiodide.
What is the SMILES notation for N-benzyl-2-[[(cyclopropylamino)-(oxolan-2-ylmethylamino)methylidene]amino]-N-methylacetamide;hydroiodide?
The canonical SMILES for N-benzyl-2-[[(cyclopropylamino)-(oxolan-2-ylmethylamino)methylidene]amino]-N-methylacetamide;hydroiodide is CN(Cc1ccccc1)C(=O)C/N=C(\NCC1CCCO1)NC1CC1.I.
What is the InChIKey of N-benzyl-2-[[(cyclopropylamino)-(oxolan-2-ylmethylamino)methylidene]amino]-N-methylacetamide;hydroiodide?
The InChIKey is AFBPGCJHQVAWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2.HI/c1-23(14-15-6-3-2-4-7-15)18(24)13-21-19(22-16-9-10-16)20-12-17-8-5-11-25-17;/h2-4,6-7,16-17H,5,8-14H2,1H3,(H2,20,21,22);1H.
What are the key properties of N-benzyl-2-[[(cyclopropylamino)-(oxolan-2-ylmethylamino)methylidene]amino]-N-methylacetamide;hydroiodide?
N-benzyl-2-[[(cyclopropylamino)-(oxolan-2-ylmethylamino)methylidene]amino]-N-methylacetamide;hydroiodide has a molecular weight of 472.37 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[(cyclopropylamino)-(oxolan-2-ylmethylamino)methylidene]amino]-N-methylacetamide;hydroiodide is sourced from PubChem (CID 71876148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).