2-[[(2-ethylhexylamino)-[[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide

C23H46N6O2 — CID 110039701

IUPAC2-[[(2-ethylhexylamino)-[[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide
SMILESCCCCC(CC)CN/C(=N\CC(=O)N(C)C)NC1CCN(CC(=O)NCCC)CC1
InChIInChI=1S/C23H46N6O2/c1-6-9-10-19(8-3)16-25-23(26-17-22(31)28(4)5)27-20-11-14-29(15-12-20)18-21(30)24-13-7-2/h19-20H,6-18H2,1-5H3,(H,24,30)(H2,25,26,27)
InChIKeyWISDOVZHTYDMKB-UHFFFAOYSA-N
MW438.66 g/mol
LogP1.82
Rot. Bonds13

About 2-[[(2-ethylhexylamino)-[[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide

2-[[(2-ethylhexylamino)-[[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110039701) has the molecular formula C23H46N6O2 and a molecular weight of 438.66 g/mol. Its IUPAC name is 2-[[(2-ethylhexylamino)-[[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(2-ethylhexylamino)-[[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide
PubChem CID110039701
Molecular FormulaC23H46N6O2
Molecular Weight438.66 g/mol
Exact Mass438.37
IUPAC Name2-[[(2-ethylhexylamino)-[[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide
SMILESCCCCC(CC)CN/C(=N\CC(=O)N(C)C)NC1CCN(CC(=O)NCCC)CC1
InChIInChI=1S/C23H46N6O2/c1-6-9-10-19(8-3)16-25-23(26-17-22(31)28(4)5)27-20-11-14-29(15-12-20)18-21(30)24-13-7-2/h19-20H,6-18H2,1-5H3,(H,24,30)(H2,25,26,27)
InChIKeyWISDOVZHTYDMKB-UHFFFAOYSA-N
XLogP1.82
TPSA89.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.66
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[(2-ethylhexylamino)-[[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]amino]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-[[(2-ethylhexylamino)-[[1-(2-methylprop-2-enyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 110040870
2-[[(2-ethylhexylamino)-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110041585
2-[[(2-ethylhexylamino)-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 110039121
2-[[(2-ethylhexylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111227438
2-[4-[[N-ethyl-N'-(2-ethylbutyl)carbamimidoyl]amino]piperidin-1-yl]-N-propylacetamide;hydroiodide
CID 111992764
2-[[butylamino-[(1-propylpiperidin-4-yl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111019180
2-[[butylamino-[[1-(2-ethylbutanoyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 110039589
2-[[[[1-(2-methoxyethyl)piperidin-4-yl]amino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110040197
2-[[(2-ethylhexylamino)-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110040789
ethyl 4-[[N'-[2-(dimethylamino)-2-oxoethyl]-N-propylcarbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111776995
methyl 4-[[N'-[2-(dimethylamino)-2-oxoethyl]-N-propylcarbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 110040430
2-[[(4-ethoxybutylamino)-(2-ethylhexylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111363857

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-ethylhexylamino)-[[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(2-ethylhexylamino)-[[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide (CID 110039701) is 2-[[(2-ethylhexylamino)-[[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(2-ethylhexylamino)-[[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(2-ethylhexylamino)-[[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide is CCCCC(CC)CN/C(=N\CC(=O)N(C)C)NC1CCN(CC(=O)NCCC)CC1.
What is the InChIKey of 2-[[(2-ethylhexylamino)-[[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is WISDOVZHTYDMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46N6O2/c1-6-9-10-19(8-3)16-25-23(26-17-22(31)28(4)5)27-20-11-14-29(15-12-20)18-21(30)24-13-7-2/h19-20H,6-18H2,1-5H3,(H,24,30)(H2,25,26,27).
What are the key properties of 2-[[(2-ethylhexylamino)-[[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide?
2-[[(2-ethylhexylamino)-[[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 438.66 g/mol, XLogP of 1.82, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-ethylhexylamino)-[[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110039701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).