2-[[[1-(2-chlorophenyl)ethylamino]-(cyclopentylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide

C18H28ClIN4O — CID 110037834

IUPAC2-[[[1-(2-chlorophenyl)ethylamino]-(cyclopentylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCC(N/C(=N/CC(=O)N(C)C)NC1CCCC1)c1ccccc1Cl.I
InChIInChI=1S/C18H27ClN4O.HI/c1-13(15-10-6-7-11-16(15)19)21-18(20-12-17(24)23(2)3)22-14-8-4-5-9-14;/h6-7,10-11,13-14H,4-5,8-9,12H2,1-3H3,(H2,20,21,22);1H
InChIKeySWZFNVPFLIQPJT-UHFFFAOYSA-N
MW478.81 g/mol
LogP3.59
Rot. Bonds5

About 2-[[[1-(2-chlorophenyl)ethylamino]-(cyclopentylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide

2-[[[1-(2-chlorophenyl)ethylamino]-(cyclopentylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide (PubChem CID 110037834) has the molecular formula C18H28ClIN4O and a molecular weight of 478.81 g/mol. Its IUPAC name is 2-[[[1-(2-chlorophenyl)ethylamino]-(cyclopentylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[[1-(2-chlorophenyl)ethylamino]-(cyclopentylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
PubChem CID110037834
Molecular FormulaC18H28ClIN4O
Molecular Weight478.81 g/mol
Exact Mass478.10
IUPAC Name2-[[[1-(2-chlorophenyl)ethylamino]-(cyclopentylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCC(N/C(=N/CC(=O)N(C)C)NC1CCCC1)c1ccccc1Cl.I
InChIInChI=1S/C18H27ClN4O.HI/c1-13(15-10-6-7-11-16(15)19)21-18(20-12-17(24)23(2)3)22-14-8-4-5-9-14;/h6-7,10-11,13-14H,4-5,8-9,12H2,1-3H3,(H2,20,21,22);1H
InChIKeySWZFNVPFLIQPJT-UHFFFAOYSA-N
XLogP3.59
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.81
LogP ≤ 53.59
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-[[[1-(2-chlorophenyl)ethylamino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110037839
N,N-dimethyl-2-[[[(3-methylsulfanylcyclohexyl)amino]-(1-phenylethylamino)methylidene]amino]acetamide;hydroiodide
CID 110041791
2-[[[1-(2-chlorophenyl)ethylamino]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110053535
N,N-dimethyl-2-[[(1-phenylethylamino)-[[3-(trifluoromethyl)cyclohexyl]amino]methylidene]amino]acetamide;hydroiodide
CID 110038944
2-[[[1-(1-benzofuran-2-yl)ethylamino]-(cyclopropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 119133281
2-[[(cyclohexylamino)-(cyclopropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 119115662
2-[[[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]amino]-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110039236
2-[[(cyclopentylamino)-(cyclopropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 119116690
2-[[(cyclopentylamino)-[[1-(1-phenylethyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 110040928
2-[[[(1-cyclopropylpiperidin-4-yl)amino]-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110038875
2-[[(cyclopentylamino)-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111841779
N,N-dimethyl-2-[[(1-phenylethylamino)-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]amino]methylidene]amino]acetamide;hydroiodide
CID 110042381

Frequently Asked Questions

What is the IUPAC name of 2-[[[1-(2-chlorophenyl)ethylamino]-(cyclopentylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The IUPAC name of 2-[[[1-(2-chlorophenyl)ethylamino]-(cyclopentylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide (CID 110037834) is 2-[[[1-(2-chlorophenyl)ethylamino]-(cyclopentylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide.
What is the SMILES notation for 2-[[[1-(2-chlorophenyl)ethylamino]-(cyclopentylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The canonical SMILES for 2-[[[1-(2-chlorophenyl)ethylamino]-(cyclopentylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide is CC(N/C(=N/CC(=O)N(C)C)NC1CCCC1)c1ccccc1Cl.I.
What is the InChIKey of 2-[[[1-(2-chlorophenyl)ethylamino]-(cyclopentylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The InChIKey is SWZFNVPFLIQPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN4O.HI/c1-13(15-10-6-7-11-16(15)19)21-18(20-12-17(24)23(2)3)22-14-8-4-5-9-14;/h6-7,10-11,13-14H,4-5,8-9,12H2,1-3H3,(H2,20,21,22);1H.
What are the key properties of 2-[[[1-(2-chlorophenyl)ethylamino]-(cyclopentylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
2-[[[1-(2-chlorophenyl)ethylamino]-(cyclopentylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide has a molecular weight of 478.81 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-(2-chlorophenyl)ethylamino]-(cyclopentylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide is sourced from PubChem (CID 110037834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).