N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[(4-propylcyclohexyl)amino]methylidene]amino]acetamide

C18H34N4O — CID 110040375

IUPACN,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[(4-propylcyclohexyl)amino]methylidene]amino]acetamide
SMILESC=C(C)CN/C(=N\CC(=O)N(C)C)NC1CCC(CCC)CC1
InChIInChI=1S/C18H34N4O/c1-6-7-15-8-10-16(11-9-15)21-18(19-12-14(2)3)20-13-17(23)22(4)5/h15-16H,2,6-13H2,1,3-5H3,(H2,19,20,21)
InChIKeyZIGOIMZVDITPHE-UHFFFAOYSA-N
MW322.50 g/mol
LogP2.54
Rot. Bonds7

About N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[(4-propylcyclohexyl)amino]methylidene]amino]acetamide

N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[(4-propylcyclohexyl)amino]methylidene]amino]acetamide (PubChem CID 110040375) has the molecular formula C18H34N4O and a molecular weight of 322.50 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[(4-propylcyclohexyl)amino]methylidene]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[(4-propylcyclohexyl)amino]methylidene]amino]acetamide
PubChem CID110040375
Molecular FormulaC18H34N4O
Molecular Weight322.50 g/mol
Exact Mass322.27
IUPAC NameN,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[(4-propylcyclohexyl)amino]methylidene]amino]acetamide
SMILESC=C(C)CN/C(=N\CC(=O)N(C)C)NC1CCC(CCC)CC1
InChIInChI=1S/C18H34N4O/c1-6-7-15-8-10-16(11-9-15)21-18(19-12-14(2)3)20-13-17(23)22(4)5/h15-16H,2,6-13H2,1,3-5H3,(H2,19,20,21)
InChIKeyZIGOIMZVDITPHE-UHFFFAOYSA-N
XLogP2.54
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

N,N-dimethyl-2-[[(2-methylsulfanylethylamino)-[(4-propylcyclohexyl)amino]methylidene]amino]acetamide
CID 110040397
2-[[[(1-butylpiperidin-4-yl)amino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110040476
2-[[(cyclopent-3-en-1-ylamino)-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110047202
2-[[(3-ethoxypropylamino)-[(4-propylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110040388
2-[[[(1-cyclopentylpiperidin-4-yl)amino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110039397
N,N-dimethyl-2-[[(2-morpholin-4-ylethylamino)-[(4-propylcyclohexyl)amino]methylidene]amino]acetamide
CID 110040373
N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[(4-propylcyclohexyl)amino]methylidene]amino]acetamide
CID 110040367
tert-butyl 3-[[N'-[2-(dimethylamino)-2-oxoethyl]-N-(2-methylprop-2-enyl)carbamimidoyl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 110040341
tert-butyl 3-[[N'-[2-(dimethylamino)-2-oxoethyl]-N-(2-methylprop-2-enyl)carbamimidoyl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;hydroiodide
CID 110040340
2-[[[[1-(3-methoxypropyl)piperidin-4-yl]amino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110040739
2-[[[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110038844
2-[[(cyclopentylamino)-(cyclopropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 119116690

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[(4-propylcyclohexyl)amino]methylidene]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[(4-propylcyclohexyl)amino]methylidene]amino]acetamide (CID 110040375) is N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[(4-propylcyclohexyl)amino]methylidene]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[(4-propylcyclohexyl)amino]methylidene]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[(4-propylcyclohexyl)amino]methylidene]amino]acetamide is C=C(C)CN/C(=N\CC(=O)N(C)C)NC1CCC(CCC)CC1.
What is the InChIKey of N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[(4-propylcyclohexyl)amino]methylidene]amino]acetamide?
The InChIKey is ZIGOIMZVDITPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O/c1-6-7-15-8-10-16(11-9-15)21-18(19-12-14(2)3)20-13-17(23)22(4)5/h15-16H,2,6-13H2,1,3-5H3,(H2,19,20,21).
What are the key properties of N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[(4-propylcyclohexyl)amino]methylidene]amino]acetamide?
N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[(4-propylcyclohexyl)amino]methylidene]amino]acetamide has a molecular weight of 322.50 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[(4-propylcyclohexyl)amino]methylidene]amino]acetamide is sourced from PubChem (CID 110040375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).