2-[[(cyclohexylmethylamino)-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide

C19H37N5O — CID 111841332

IUPAC2-[[(cyclohexylmethylamino)-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide
SMILESCCN1CCCC1CN/C(=N\CC(=O)N(C)C)NCC1CCCCC1
InChIInChI=1S/C19H37N5O/c1-4-24-12-8-11-17(24)14-21-19(22-15-18(25)23(2)3)20-13-16-9-6-5-7-10-16/h16-17H,4-15H2,1-3H3,(H2,20,21,22)
InChIKeyWSELXGDTAHLLLR-UHFFFAOYSA-N
MW351.54 g/mol
LogP1.67
Rot. Bonds7

About 2-[[(cyclohexylmethylamino)-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide

2-[[(cyclohexylmethylamino)-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide (PubChem CID 111841332) has the molecular formula C19H37N5O and a molecular weight of 351.54 g/mol. Its IUPAC name is 2-[[(cyclohexylmethylamino)-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(cyclohexylmethylamino)-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide
PubChem CID111841332
Molecular FormulaC19H37N5O
Molecular Weight351.54 g/mol
Exact Mass351.30
IUPAC Name2-[[(cyclohexylmethylamino)-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide
SMILESCCN1CCCC1CN/C(=N\CC(=O)N(C)C)NCC1CCCCC1
InChIInChI=1S/C19H37N5O/c1-4-24-12-8-11-17(24)14-21-19(22-15-18(25)23(2)3)20-13-16-9-6-5-7-10-16/h16-17H,4-15H2,1-3H3,(H2,20,21,22)
InChIKeyWSELXGDTAHLLLR-UHFFFAOYSA-N
XLogP1.67
TPSA59.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.54
LogP ≤ 51.67
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'}

Analyze 2-[[(cyclohexylmethylamino)-[(1-ethylpyrrolidin-2-yl)methylamino]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-[[(cyclohexylmethylamino)-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111841331
2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-(3-methoxypropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111494523
2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110035653
2-[[(butan-2-ylamino)-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111492073
2-[[[(1-ethylcyclobutyl)methylamino]-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110043572
2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-[2-(oxan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110033812
2-[[[2-(2-chlorophenyl)ethylamino]-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111842536
2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-[3-(N-methylanilino)propylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111262691
2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-(2-phenylsulfanylpropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111980111
2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-[[1-(3-methoxypropanoyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110048277
2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110036175
2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 110041602

Frequently Asked Questions

What is the IUPAC name of 2-[[(cyclohexylmethylamino)-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(cyclohexylmethylamino)-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide (CID 111841332) is 2-[[(cyclohexylmethylamino)-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(cyclohexylmethylamino)-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(cyclohexylmethylamino)-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide is CCN1CCCC1CN/C(=N\CC(=O)N(C)C)NCC1CCCCC1.
What is the InChIKey of 2-[[(cyclohexylmethylamino)-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is WSELXGDTAHLLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N5O/c1-4-24-12-8-11-17(24)14-21-19(22-15-18(25)23(2)3)20-13-16-9-6-5-7-10-16/h16-17H,4-15H2,1-3H3,(H2,20,21,22).
What are the key properties of 2-[[(cyclohexylmethylamino)-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide?
2-[[(cyclohexylmethylamino)-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 351.54 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(cyclohexylmethylamino)-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 111841332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).