2-[[(cyclohexylamino)-[3-(diethylamino)pyrrolidin-1-yl]methylidene]amino]-N,N-dimethylacetamide

C19H37N5O — CID 110039087

IUPAC2-[[(cyclohexylamino)-[3-(diethylamino)pyrrolidin-1-yl]methylidene]amino]-N,N-dimethylacetamide
SMILESCCN(CC)C1CCN(/C(=N\CC(=O)N(C)C)NC2CCCCC2)C1
InChIInChI=1S/C19H37N5O/c1-5-23(6-2)17-12-13-24(15-17)19(20-14-18(25)22(3)4)21-16-10-8-7-9-11-16/h16-17H,5-15H2,1-4H3,(H,20,21)
InChIKeyZPIKDSUEJRCIDV-UHFFFAOYSA-N
MW351.54 g/mol
LogP1.77
Rot. Bonds6

About 2-[[(cyclohexylamino)-[3-(diethylamino)pyrrolidin-1-yl]methylidene]amino]-N,N-dimethylacetamide

2-[[(cyclohexylamino)-[3-(diethylamino)pyrrolidin-1-yl]methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110039087) has the molecular formula C19H37N5O and a molecular weight of 351.54 g/mol. Its IUPAC name is 2-[[(cyclohexylamino)-[3-(diethylamino)pyrrolidin-1-yl]methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(cyclohexylamino)-[3-(diethylamino)pyrrolidin-1-yl]methylidene]amino]-N,N-dimethylacetamide
PubChem CID110039087
Molecular FormulaC19H37N5O
Molecular Weight351.54 g/mol
Exact Mass351.30
IUPAC Name2-[[(cyclohexylamino)-[3-(diethylamino)pyrrolidin-1-yl]methylidene]amino]-N,N-dimethylacetamide
SMILESCCN(CC)C1CCN(/C(=N\CC(=O)N(C)C)NC2CCCCC2)C1
InChIInChI=1S/C19H37N5O/c1-5-23(6-2)17-12-13-24(15-17)19(20-14-18(25)22(3)4)21-16-10-8-7-9-11-16/h16-17H,5-15H2,1-4H3,(H,20,21)
InChIKeyZPIKDSUEJRCIDV-UHFFFAOYSA-N
XLogP1.77
TPSA51.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.54
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[[(cyclohexylamino)-[3-(diethylamino)pyrrolidin-1-yl]methylidene]amino]-N,N-dimethylacetamide 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-[[[3-(diethylamino)pyrrolidin-1-yl]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110039084
2-[[(cyclopentylamino)-(3-cyclopropylpyrrolidin-1-yl)methylidene]amino]-N,N-dimethylacetamide
CID 86791763
2-[[(cyclopentylamino)-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110042033
2-[[(cyclopentylamino)-[3-(cyclopentylsulfamoyl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide
CID 110050010
ethyl 4-[[C-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N-[2-(dimethylamino)-2-oxoethyl]carbonimidoyl]amino]piperidine-1-carboxylate
CID 110043013
2-[[1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindol-2-yl-(cyclohexylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 86791749
2-[[[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-(cyclopentylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110038538
2-[[(cyclohexylamino)-[(1-propanoylpyrrolidin-3-yl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 110047520
2-[[(cyclopentylamino)-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110050079
2-[[(cyclopentylamino)-[4-(3-methoxypropoxy)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110043976
2-[[[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]amino]-(cyclohexylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110047305
2-[[(cyclohexylamino)-(cyclopropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 119115662

Frequently Asked Questions

What is the IUPAC name of 2-[[(cyclohexylamino)-[3-(diethylamino)pyrrolidin-1-yl]methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(cyclohexylamino)-[3-(diethylamino)pyrrolidin-1-yl]methylidene]amino]-N,N-dimethylacetamide (CID 110039087) is 2-[[(cyclohexylamino)-[3-(diethylamino)pyrrolidin-1-yl]methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(cyclohexylamino)-[3-(diethylamino)pyrrolidin-1-yl]methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(cyclohexylamino)-[3-(diethylamino)pyrrolidin-1-yl]methylidene]amino]-N,N-dimethylacetamide is CCN(CC)C1CCN(/C(=N\CC(=O)N(C)C)NC2CCCCC2)C1.
What is the InChIKey of 2-[[(cyclohexylamino)-[3-(diethylamino)pyrrolidin-1-yl]methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is ZPIKDSUEJRCIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N5O/c1-5-23(6-2)17-12-13-24(15-17)19(20-14-18(25)22(3)4)21-16-10-8-7-9-11-16/h16-17H,5-15H2,1-4H3,(H,20,21).
What are the key properties of 2-[[(cyclohexylamino)-[3-(diethylamino)pyrrolidin-1-yl]methylidene]amino]-N,N-dimethylacetamide?
2-[[(cyclohexylamino)-[3-(diethylamino)pyrrolidin-1-yl]methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 351.54 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(cyclohexylamino)-[3-(diethylamino)pyrrolidin-1-yl]methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110039087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).