N,N-dimethyl-2-[[(propan-2-ylamino)-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]acetamide

C16H33N5O — CID 119139955

IUPACN,N-dimethyl-2-[[(propan-2-ylamino)-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]acetamide
SMILESCC(C)N/C(=N\CC(=O)N(C)C)NC1CCN(C(C)C)CC1
InChIInChI=1S/C16H33N5O/c1-12(2)18-16(17-11-15(22)20(5)6)19-14-7-9-21(10-8-14)13(3)4/h12-14H,7-11H2,1-6H3,(H2,17,18,19)
InChIKeyPZKLJKZCAIDMLT-UHFFFAOYSA-N
MW311.47 g/mol
LogP0.89
Rot. Bonds5

About N,N-dimethyl-2-[[(propan-2-ylamino)-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]acetamide

N,N-dimethyl-2-[[(propan-2-ylamino)-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]acetamide (PubChem CID 119139955) has the molecular formula C16H33N5O and a molecular weight of 311.47 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(propan-2-ylamino)-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(propan-2-ylamino)-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]acetamide
PubChem CID119139955
Molecular FormulaC16H33N5O
Molecular Weight311.47 g/mol
Exact Mass311.27
IUPAC NameN,N-dimethyl-2-[[(propan-2-ylamino)-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]acetamide
SMILESCC(C)N/C(=N\CC(=O)N(C)C)NC1CCN(C(C)C)CC1
InChIInChI=1S/C16H33N5O/c1-12(2)18-16(17-11-15(22)20(5)6)19-14-7-9-21(10-8-14)13(3)4/h12-14H,7-11H2,1-6H3,(H2,17,18,19)
InChIKeyPZKLJKZCAIDMLT-UHFFFAOYSA-N
XLogP0.89
TPSA59.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 50.89
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

N,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]acetamide;hydroiodide
CID 111542211
2-[[(butan-2-ylamino)-(cyclopropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 119115450
2-[[(butan-2-ylamino)-[(1-cyclopentylpiperidin-4-yl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110039430
2-[[(cyclopentylamino)-[[1-(1-phenylethyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 110040928
2-[[(cyclopentylamino)-(cyclopropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 119116690
3-[[ethylamino-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]-N,N-dimethylpropanamide;hydroiodide
CID 111318283
2-[[[2-(furan-2-yl)ethylamino]-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111907088
N,N-dimethyl-2-[[[(2-methylcyclopropyl)amino]-(propan-2-ylamino)methylidene]amino]acetamide;hydroiodide
CID 119145472
2-[[(butan-2-ylamino)-[(3-methylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 110039577
2-[[(cyclohexylamino)-(cyclopropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 119115662
2-[[(cyclopentylamino)-(4-methylsulfonylbutan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110047616
2-[[[(1-acetylpiperidin-4-yl)amino]-(1-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 119133316

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[(propan-2-ylamino)-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[(propan-2-ylamino)-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]acetamide (CID 119139955) is N,N-dimethyl-2-[[(propan-2-ylamino)-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[(propan-2-ylamino)-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[(propan-2-ylamino)-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]acetamide is CC(C)N/C(=N\CC(=O)N(C)C)NC1CCN(C(C)C)CC1.
What is the InChIKey of N,N-dimethyl-2-[[(propan-2-ylamino)-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]acetamide?
The InChIKey is PZKLJKZCAIDMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N5O/c1-12(2)18-16(17-11-15(22)20(5)6)19-14-7-9-21(10-8-14)13(3)4/h12-14H,7-11H2,1-6H3,(H2,17,18,19).
What are the key properties of N,N-dimethyl-2-[[(propan-2-ylamino)-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]acetamide?
N,N-dimethyl-2-[[(propan-2-ylamino)-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]acetamide has a molecular weight of 311.47 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[(propan-2-ylamino)-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]acetamide is sourced from PubChem (CID 119139955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).