2-[[(cyclohexylmethylamino)-(3-methylpiperidin-1-yl)methylidene]amino]-N,N-dimethylacetamide

C18H34N4O — CID 110037309

IUPAC2-[[(cyclohexylmethylamino)-(3-methylpiperidin-1-yl)methylidene]amino]-N,N-dimethylacetamide
SMILESCC1CCCN(/C(=N/CC(=O)N(C)C)NCC2CCCCC2)C1
InChIInChI=1S/C18H34N4O/c1-15-8-7-11-22(14-15)18(20-13-17(23)21(2)3)19-12-16-9-5-4-6-10-16/h15-16H,4-14H2,1-3H3,(H,19,20)
InChIKeyXOVLLXLULJUXAT-UHFFFAOYSA-N
MW322.50 g/mol
LogP2.33
Rot. Bonds4

About 2-[[(cyclohexylmethylamino)-(3-methylpiperidin-1-yl)methylidene]amino]-N,N-dimethylacetamide

2-[[(cyclohexylmethylamino)-(3-methylpiperidin-1-yl)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110037309) has the molecular formula C18H34N4O and a molecular weight of 322.50 g/mol. Its IUPAC name is 2-[[(cyclohexylmethylamino)-(3-methylpiperidin-1-yl)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(cyclohexylmethylamino)-(3-methylpiperidin-1-yl)methylidene]amino]-N,N-dimethylacetamide
PubChem CID110037309
Molecular FormulaC18H34N4O
Molecular Weight322.50 g/mol
Exact Mass322.27
IUPAC Name2-[[(cyclohexylmethylamino)-(3-methylpiperidin-1-yl)methylidene]amino]-N,N-dimethylacetamide
SMILESCC1CCCN(/C(=N/CC(=O)N(C)C)NCC2CCCCC2)C1
InChIInChI=1S/C18H34N4O/c1-15-8-7-11-22(14-15)18(20-13-17(23)21(2)3)19-12-16-9-5-4-6-10-16/h15-16H,4-14H2,1-3H3,(H,19,20)
InChIKeyXOVLLXLULJUXAT-UHFFFAOYSA-N
XLogP2.33
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 52.33
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'}

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Related Compounds

2-[[(cyclohexylmethylamino)-pyrrolidin-1-ylmethylidene]amino]-N,N-dimethylacetamide
CID 111493030
2-[1-[N-(cyclohexylmethyl)-N'-[2-(dimethylamino)-2-oxoethyl]carbamimidoyl]piperidin-3-yl]acetamide;hydroiodide
CID 110044496
ethyl 1-[N-(cyclohexylmethyl)-N'-[2-(dimethylamino)-2-oxoethyl]carbamimidoyl]piperidine-3-carboxylate;hydroiodide
CID 110037250
2-[[(cyclohexylmethylamino)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methylidene]amino]-N,N-dimethylacetamide
CID 110040689
N,N-dimethyl-2-[[(3-methylpiperidin-1-yl)-(2-methylpropylamino)methylidene]amino]acetamide
CID 110037299
ethyl 4-[N-(cyclohexylmethyl)-N'-[2-(dimethylamino)-2-oxoethyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 110037408
2-[[(cyclohexylmethylamino)-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110038560
2-[[[2-(furan-2-yl)ethylamino]-(3-methylpiperidin-1-yl)methylidene]amino]-N,N-dimethylacetamide
CID 110053298
2-[[(cyclohexylmethylamino)-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110043430
2-[1-[N'-[2-(dimethylamino)-2-oxoethyl]-N-(2-methylsulfanylethyl)carbamimidoyl]piperidin-3-yl]acetamide;hydroiodide
CID 110044504
N,N-dimethyl-2-[[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-(oxolan-3-ylmethylamino)methylidene]amino]acetamide
CID 110050122
2-[1-[N'-[2-(dimethylamino)-2-oxoethyl]-N-prop-2-enylcarbamimidoyl]piperidin-3-yl]acetamide;hydroiodide
CID 110044500

Frequently Asked Questions

What is the IUPAC name of 2-[[(cyclohexylmethylamino)-(3-methylpiperidin-1-yl)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(cyclohexylmethylamino)-(3-methylpiperidin-1-yl)methylidene]amino]-N,N-dimethylacetamide (CID 110037309) is 2-[[(cyclohexylmethylamino)-(3-methylpiperidin-1-yl)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(cyclohexylmethylamino)-(3-methylpiperidin-1-yl)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(cyclohexylmethylamino)-(3-methylpiperidin-1-yl)methylidene]amino]-N,N-dimethylacetamide is CC1CCCN(/C(=N/CC(=O)N(C)C)NCC2CCCCC2)C1.
What is the InChIKey of 2-[[(cyclohexylmethylamino)-(3-methylpiperidin-1-yl)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is XOVLLXLULJUXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O/c1-15-8-7-11-22(14-15)18(20-13-17(23)21(2)3)19-12-16-9-5-4-6-10-16/h15-16H,4-14H2,1-3H3,(H,19,20).
What are the key properties of 2-[[(cyclohexylmethylamino)-(3-methylpiperidin-1-yl)methylidene]amino]-N,N-dimethylacetamide?
2-[[(cyclohexylmethylamino)-(3-methylpiperidin-1-yl)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 322.50 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(cyclohexylmethylamino)-(3-methylpiperidin-1-yl)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110037309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).