N,N-dimethyl-2-[[(3-methylpiperidin-1-yl)-(2-methylpropylamino)methylidene]amino]acetamide

C15H30N4O — CID 110037299

IUPACN,N-dimethyl-2-[[(3-methylpiperidin-1-yl)-(2-methylpropylamino)methylidene]amino]acetamide
SMILESCC(C)CN/C(=N\CC(=O)N(C)C)N1CCCC(C)C1
InChIInChI=1S/C15H30N4O/c1-12(2)9-16-15(17-10-14(20)18(4)5)19-8-6-7-13(3)11-19/h12-13H,6-11H2,1-5H3,(H,16,17)
InChIKeyCAUIUOVSFSGBTH-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.41
Rot. Bonds4

About N,N-dimethyl-2-[[(3-methylpiperidin-1-yl)-(2-methylpropylamino)methylidene]amino]acetamide

N,N-dimethyl-2-[[(3-methylpiperidin-1-yl)-(2-methylpropylamino)methylidene]amino]acetamide (PubChem CID 110037299) has the molecular formula C15H30N4O and a molecular weight of 282.43 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(3-methylpiperidin-1-yl)-(2-methylpropylamino)methylidene]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(3-methylpiperidin-1-yl)-(2-methylpropylamino)methylidene]amino]acetamide
PubChem CID110037299
Molecular FormulaC15H30N4O
Molecular Weight282.43 g/mol
Exact Mass282.24
IUPAC NameN,N-dimethyl-2-[[(3-methylpiperidin-1-yl)-(2-methylpropylamino)methylidene]amino]acetamide
SMILESCC(C)CN/C(=N\CC(=O)N(C)C)N1CCCC(C)C1
InChIInChI=1S/C15H30N4O/c1-12(2)9-16-15(17-10-14(20)18(4)5)19-8-6-7-13(3)11-19/h12-13H,6-11H2,1-5H3,(H,16,17)
InChIKeyCAUIUOVSFSGBTH-UHFFFAOYSA-N
XLogP1.41
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-2-[[(3-methylpiperidin-1-yl)-(2-methylpropylamino)methylidene]amino]acetamide 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-[N'-[2-(dimethylamino)-2-oxoethyl]-N-(2-methylpropyl)carbamimidoyl]piperidin-3-yl]acetamide;hydroiodide
CID 110044466
N,N-dimethyl-2-[[(2-methylpropylamino)-[3-(2-methylpropyl)pyrrolidin-1-yl]methylidene]amino]acetamide;hydroiodide
CID 110041385
2-[[(cyclohexylmethylamino)-(3-methylpiperidin-1-yl)methylidene]amino]-N,N-dimethylacetamide
CID 110037309
N,N-dimethyl-2-[[(2-methylpropylamino)-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]methylidene]amino]acetamide;hydroiodide
CID 110047977
N,N-dimethyl-2-[[(3-methyl-4-phenylpiperidin-1-yl)-(2-methylpropylamino)methylidene]amino]acetamide
CID 110044323
2-[[[2-(furan-2-yl)ethylamino]-(3-methylpiperidin-1-yl)methylidene]amino]-N,N-dimethylacetamide
CID 110053298
2-[[[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110042344
N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[3-(2-methylpropyl)pyrrolidin-1-yl]methylidene]amino]acetamide
CID 111734965
2-[[ethylamino-(3-pentan-3-ylpyrrolidin-1-yl)methylidene]amino]-N,N-dimethylacetamide
CID 111744031
2-[1-[N'-[2-(dimethylamino)-2-oxoethyl]-N-(2-ethylhexyl)carbamimidoyl]piperidin-3-yl]acetamide
CID 110044463
N,N-dimethyl-2-[[[(3-methylcyclohexyl)amino]-(2-methylpropylamino)methylidene]amino]acetamide
CID 110039537
2-[[(cyclohexylmethylamino)-pyrrolidin-1-ylmethylidene]amino]-N,N-dimethylacetamide
CID 111493030

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[(3-methylpiperidin-1-yl)-(2-methylpropylamino)methylidene]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[(3-methylpiperidin-1-yl)-(2-methylpropylamino)methylidene]amino]acetamide (CID 110037299) is N,N-dimethyl-2-[[(3-methylpiperidin-1-yl)-(2-methylpropylamino)methylidene]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[(3-methylpiperidin-1-yl)-(2-methylpropylamino)methylidene]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[(3-methylpiperidin-1-yl)-(2-methylpropylamino)methylidene]amino]acetamide is CC(C)CN/C(=N\CC(=O)N(C)C)N1CCCC(C)C1.
What is the InChIKey of N,N-dimethyl-2-[[(3-methylpiperidin-1-yl)-(2-methylpropylamino)methylidene]amino]acetamide?
The InChIKey is CAUIUOVSFSGBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O/c1-12(2)9-16-15(17-10-14(20)18(4)5)19-8-6-7-13(3)11-19/h12-13H,6-11H2,1-5H3,(H,16,17).
What are the key properties of N,N-dimethyl-2-[[(3-methylpiperidin-1-yl)-(2-methylpropylamino)methylidene]amino]acetamide?
N,N-dimethyl-2-[[(3-methylpiperidin-1-yl)-(2-methylpropylamino)methylidene]amino]acetamide has a molecular weight of 282.43 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[(3-methylpiperidin-1-yl)-(2-methylpropylamino)methylidene]amino]acetamide is sourced from PubChem (CID 110037299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).