2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(cyclohexylamino)methylidene]amino]-N,N-dimethylacetamide

C24H39N5O — CID 110043169

IUPAC2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(cyclohexylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCC1CC(N/C(=N/CC(=O)N(C)C)NC2CCCCC2)CCN1Cc1ccccc1
InChIInChI=1S/C24H39N5O/c1-19-16-22(14-15-29(19)18-20-10-6-4-7-11-20)27-24(25-17-23(30)28(2)3)26-21-12-8-5-9-13-21/h4,6-7,10-11,19,21-22H,5,8-9,12-18H2,1-3H3,(H2,25,26,27)
InChIKeyJTCNKSPZDCNCQQ-UHFFFAOYSA-N
MW413.61 g/mol
LogP3.00
Rot. Bonds6

About 2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(cyclohexylamino)methylidene]amino]-N,N-dimethylacetamide

2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(cyclohexylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110043169) has the molecular formula C24H39N5O and a molecular weight of 413.61 g/mol. Its IUPAC name is 2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(cyclohexylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(cyclohexylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID110043169
Molecular FormulaC24H39N5O
Molecular Weight413.61 g/mol
Exact Mass413.32
IUPAC Name2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(cyclohexylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCC1CC(N/C(=N/CC(=O)N(C)C)NC2CCCCC2)CCN1Cc1ccccc1
InChIInChI=1S/C24H39N5O/c1-19-16-22(14-15-29(19)18-20-10-6-4-7-11-20)27-24(25-17-23(30)28(2)3)26-21-12-8-5-9-13-21/h4,6-7,10-11,19,21-22H,5,8-9,12-18H2,1-3H3,(H2,25,26,27)
InChIKeyJTCNKSPZDCNCQQ-UHFFFAOYSA-N
XLogP3.00
TPSA59.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.61
LogP ≤ 53.00
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'}

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Related Compounds

2-[[[(1-benzyl-5-methylpyrrolidin-3-yl)amino]-(cyclopentylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110046652
2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110043159
2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(ethylamino)methylidene]amino]-N-cyclohexylacetamide
CID 109458992
2-[[N'-benzyl-N-(1-benzyl-2-methylpiperidin-4-yl)carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 110043146
2-[[[(1-benzylpiperidin-4-yl)amino]-[(2-methylcyclopropyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 111365275
2-[[[(1-benzylpiperidin-4-yl)amino]-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 110044613
2-[[[(1-benzyl-5-methylpyrrolidin-3-yl)amino]-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110046668
2-[[[(1-benzyl-5-methylpyrrolidin-3-yl)amino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110046662
2-[[(cyclopentylamino)-[[1-(1-phenylethyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 110040928
2-[[(cyclohexylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111134761
2-[[[(1-benzyl-5-methylpyrrolidin-3-yl)amino]-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110046684
1-(1-benzyl-2-methylpiperidin-4-yl)-3-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylguanidine
CID 109458214

Frequently Asked Questions

What is the IUPAC name of 2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(cyclohexylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(cyclohexylamino)methylidene]amino]-N,N-dimethylacetamide (CID 110043169) is 2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(cyclohexylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(cyclohexylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(cyclohexylamino)methylidene]amino]-N,N-dimethylacetamide is CC1CC(N/C(=N/CC(=O)N(C)C)NC2CCCCC2)CCN1Cc1ccccc1.
What is the InChIKey of 2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(cyclohexylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is JTCNKSPZDCNCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N5O/c1-19-16-22(14-15-29(19)18-20-10-6-4-7-11-20)27-24(25-17-23(30)28(2)3)26-21-12-8-5-9-13-21/h4,6-7,10-11,19,21-22H,5,8-9,12-18H2,1-3H3,(H2,25,26,27).
What are the key properties of 2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(cyclohexylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(cyclohexylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 413.61 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(cyclohexylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110043169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).