N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[(1-phenylpiperidin-4-yl)amino]methylidene]amino]acetamide;hydroiodide

C23H38IN5O — CID 110040324

IUPACN,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[(1-phenylpiperidin-4-yl)amino]methylidene]amino]acetamide;hydroiodide
SMILESCC1CCCCC1N/C(=N\CC(=O)N(C)C)NC1CCN(c2ccccc2)CC1.I
InChIInChI=1S/C23H37N5O.HI/c1-18-9-7-8-12-21(18)26-23(24-17-22(29)27(2)3)25-19-13-15-28(16-14-19)20-10-5-4-6-11-20;/h4-6,10-11,18-19,21H,7-9,12-17H2,1-3H3,(H2,24,25,26);1H
InChIKeyQNMYBKBQHLIUPU-UHFFFAOYSA-N
MW527.50 g/mol
LogP3.48
Rot. Bonds5

About N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[(1-phenylpiperidin-4-yl)amino]methylidene]amino]acetamide;hydroiodide

N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[(1-phenylpiperidin-4-yl)amino]methylidene]amino]acetamide;hydroiodide (PubChem CID 110040324) has the molecular formula C23H38IN5O and a molecular weight of 527.50 g/mol. Its IUPAC name is N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[(1-phenylpiperidin-4-yl)amino]methylidene]amino]acetamide;hydroiodide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[(1-phenylpiperidin-4-yl)amino]methylidene]amino]acetamide;hydroiodide
PubChem CID110040324
Molecular FormulaC23H38IN5O
Molecular Weight527.50 g/mol
Exact Mass527.21
IUPAC NameN,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[(1-phenylpiperidin-4-yl)amino]methylidene]amino]acetamide;hydroiodide
SMILESCC1CCCCC1N/C(=N\CC(=O)N(C)C)NC1CCN(c2ccccc2)CC1.I
InChIInChI=1S/C23H37N5O.HI/c1-18-9-7-8-12-21(18)26-23(24-17-22(29)27(2)3)25-19-13-15-28(16-14-19)20-10-5-4-6-11-20;/h4-6,10-11,18-19,21H,7-9,12-17H2,1-3H3,(H2,24,25,26);1H
InChIKeyQNMYBKBQHLIUPU-UHFFFAOYSA-N
XLogP3.48
TPSA59.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.50
LogP ≤ 53.48
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'}

Analyze N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[(1-phenylpiperidin-4-yl)amino]methylidene]amino]acetamide;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[[(1-ethylsulfonylpiperidin-4-yl)amino]-[(2-methylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110039052
N,N-dimethyl-2-[[[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]amino]-[(2-methylcyclohexyl)amino]methylidene]amino]acetamide
CID 110039687
2-[[[(1-benzylpiperidin-4-yl)amino]-[(2-methylcyclopropyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 111365275
N,N-dimethyl-2-[[[(1-phenylpyrrolidin-3-yl)amino]-(propylamino)methylidene]amino]acetamide;hydroiodide
CID 110040250
2-[[(cyclopentylamino)-[[1-(1-phenylethyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 110040928
N,N-dimethyl-2-[[[(1-phenylpyrrolidin-3-yl)amino]-(propylamino)methylidene]amino]acetamide
CID 110040251
2-[[N'-benzyl-N-(1-phenylpiperidin-4-yl)carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 110040270
2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(cyclohexylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110043169
N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-(thian-3-ylamino)methylidene]amino]acetamide
CID 110042657
N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-(propylamino)methylidene]amino]acetamide;hydroiodide
CID 111769730
2-[[[(1-benzyl-5-methylpyrrolidin-3-yl)amino]-(cyclopentylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110046652
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-methylcyclohexyl)amino]-[(1-phenylpiperidin-4-yl)amino]methylidene]amino]acetamide;hydroiodide?
The IUPAC name of N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[(1-phenylpiperidin-4-yl)amino]methylidene]amino]acetamide;hydroiodide (CID 110040324) is N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[(1-phenylpiperidin-4-yl)amino]methylidene]amino]acetamide;hydroiodide.
What is the SMILES notation for N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[(1-phenylpiperidin-4-yl)amino]methylidene]amino]acetamide;hydroiodide?
The canonical SMILES for N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[(1-phenylpiperidin-4-yl)amino]methylidene]amino]acetamide;hydroiodide is CC1CCCCC1N/C(=N\CC(=O)N(C)C)NC1CCN(c2ccccc2)CC1.I.
What is the InChIKey of N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[(1-phenylpiperidin-4-yl)amino]methylidene]amino]acetamide;hydroiodide?
The InChIKey is QNMYBKBQHLIUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N5O.HI/c1-18-9-7-8-12-21(18)26-23(24-17-22(29)27(2)3)25-19-13-15-28(16-14-19)20-10-5-4-6-11-20;/h4-6,10-11,18-19,21H,7-9,12-17H2,1-3H3,(H2,24,25,26);1H.
What are the key properties of N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[(1-phenylpiperidin-4-yl)amino]methylidene]amino]acetamide;hydroiodide?
N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[(1-phenylpiperidin-4-yl)amino]methylidene]amino]acetamide;hydroiodide has a molecular weight of 527.50 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[(1-phenylpiperidin-4-yl)amino]methylidene]amino]acetamide;hydroiodide is sourced from PubChem (CID 110040324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).