2-[[(2-ethylhexylamino)-[[1-(2-methylprop-2-enyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide

C22H43N5O — CID 110040870

IUPAC2-[[(2-ethylhexylamino)-[[1-(2-methylprop-2-enyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide
SMILESC=C(C)CN1CCC(N/C(=N/CC(=O)N(C)C)NCC(CC)CCCC)CC1
InChIInChI=1S/C22H43N5O/c1-7-9-10-19(8-2)15-23-22(24-16-21(28)26(5)6)25-20-11-13-27(14-12-20)17-18(3)4/h19-20H,3,7-17H2,1-2,4-6H3,(H2,23,24,25)
InChIKeyNVAXECXZFMMTCK-UHFFFAOYSA-N
MW393.62 g/mol
LogP2.87
Rot. Bonds11

About 2-[[(2-ethylhexylamino)-[[1-(2-methylprop-2-enyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide

2-[[(2-ethylhexylamino)-[[1-(2-methylprop-2-enyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110040870) has the molecular formula C22H43N5O and a molecular weight of 393.62 g/mol. Its IUPAC name is 2-[[(2-ethylhexylamino)-[[1-(2-methylprop-2-enyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(2-ethylhexylamino)-[[1-(2-methylprop-2-enyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide
PubChem CID110040870
Molecular FormulaC22H43N5O
Molecular Weight393.62 g/mol
Exact Mass393.35
IUPAC Name2-[[(2-ethylhexylamino)-[[1-(2-methylprop-2-enyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide
SMILESC=C(C)CN1CCC(N/C(=N/CC(=O)N(C)C)NCC(CC)CCCC)CC1
InChIInChI=1S/C22H43N5O/c1-7-9-10-19(8-2)15-23-22(24-16-21(28)26(5)6)25-20-11-13-27(14-12-20)17-18(3)4/h19-20H,3,7-17H2,1-2,4-6H3,(H2,23,24,25)
InChIKeyNVAXECXZFMMTCK-UHFFFAOYSA-N
XLogP2.87
TPSA59.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.62
LogP ≤ 52.87
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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[[(2-ethylhexylamino)-[[1-(2-methylprop-2-enyl)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-oxo-2-(propylamino)ethyl]piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 110039701
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
N,N-dimethyl-2-[[[[1-(2-methylprop-2-enyl)piperidin-4-yl]amino]-(prop-2-enylamino)methylidene]amino]acetamide;hydroiodide
CID 110040913
2-[[[(1-butylpiperidin-4-yl)amino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110040476
2-[[(cyclohexylmethylamino)-[[1-(2-methylprop-2-enyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110040907
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
2-[[(2-ethylhexylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111227438
2-[[butylamino-[(1-propylpiperidin-4-yl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111019180
2-[[(2-ethylhexylamino)-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110048442
2-[[butylamino-[[1-(2-ethylbutanoyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 110039589
2-[[(2-ethylhexylamino)-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110043310

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-ethylhexylamino)-[[1-(2-methylprop-2-enyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(2-ethylhexylamino)-[[1-(2-methylprop-2-enyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide (CID 110040870) is 2-[[(2-ethylhexylamino)-[[1-(2-methylprop-2-enyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(2-ethylhexylamino)-[[1-(2-methylprop-2-enyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(2-ethylhexylamino)-[[1-(2-methylprop-2-enyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide is C=C(C)CN1CCC(N/C(=N/CC(=O)N(C)C)NCC(CC)CCCC)CC1.
What is the InChIKey of 2-[[(2-ethylhexylamino)-[[1-(2-methylprop-2-enyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is NVAXECXZFMMTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N5O/c1-7-9-10-19(8-2)15-23-22(24-16-21(28)26(5)6)25-20-11-13-27(14-12-20)17-18(3)4/h19-20H,3,7-17H2,1-2,4-6H3,(H2,23,24,25).
What are the key properties of 2-[[(2-ethylhexylamino)-[[1-(2-methylprop-2-enyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide?
2-[[(2-ethylhexylamino)-[[1-(2-methylprop-2-enyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 393.62 g/mol, XLogP of 2.87, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-ethylhexylamino)-[[1-(2-methylprop-2-enyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110040870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).