N-[2-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide

C16H32N4O2 — CID 109381980

IUPACN-[2-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide
SMILESCCN/C(=N\CCNC(=O)C(C)(C)C)N(C)CC1CCOC1
InChIInChI=1S/C16H32N4O2/c1-6-17-15(20(5)11-13-7-10-22-12-13)19-9-8-18-14(21)16(2,3)4/h13H,6-12H2,1-5H3,(H,17,19)(H,18,21)
InChIKeySTOVCMCCEGYRJH-UHFFFAOYSA-N
MW312.46 g/mol
LogP1.08
Rot. Bonds6

About N-[2-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide

N-[2-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide (PubChem CID 109381980) has the molecular formula C16H32N4O2 and a molecular weight of 312.46 g/mol. Its IUPAC name is N-[2-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide
PubChem CID109381980
Molecular FormulaC16H32N4O2
Molecular Weight312.46 g/mol
Exact Mass312.25
IUPAC NameN-[2-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide
SMILESCCN/C(=N\CCNC(=O)C(C)(C)C)N(C)CC1CCOC1
InChIInChI=1S/C16H32N4O2/c1-6-17-15(20(5)11-13-7-10-22-12-13)19-9-8-18-14(21)16(2,3)4/h13H,6-12H2,1-5H3,(H,17,19)(H,18,21)
InChIKeySTOVCMCCEGYRJH-UHFFFAOYSA-N
XLogP1.08
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 109383411
2-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 109383412
2-[[[3-(ethoxymethyl)pyrrolidin-1-yl]-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 112057539
2-[[[3-(ethoxymethyl)pyrrolidin-1-yl]-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 112057540
2-[[(3-fluoropropylamino)-(oxolan-3-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 112402787
3-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide
CID 109381449
3-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]-N-propylpropanamide
CID 109381450
tert-butyl N-[2-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]ethyl]-N-methylcarbamate
CID 109381590
N-[2-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 109381591
N-[2-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 109381592
3-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N,N-dimethylpropanamide;hydroiodide
CID 109381925
3-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N,N-dimethylpropanamide
CID 109381926

Frequently Asked Questions

What is the IUPAC name of N-[2-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide (CID 109381980) is N-[2-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide is CCN/C(=N\CCNC(=O)C(C)(C)C)N(C)CC1CCOC1.
What is the InChIKey of N-[2-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide?
The InChIKey is STOVCMCCEGYRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O2/c1-6-17-15(20(5)11-13-7-10-22-12-13)19-9-8-18-14(21)16(2,3)4/h13H,6-12H2,1-5H3,(H,17,19)(H,18,21).
What are the key properties of N-[2-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide?
N-[2-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide has a molecular weight of 312.46 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 109381980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).