2-[[[(2,2-diethyl-3-methoxy-4-methylcyclobutyl)amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide

C17H34N4O2 — CID 110033675

IUPAC2-[[[(2,2-diethyl-3-methoxy-4-methylcyclobutyl)amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCN/C(=N\CC(=O)N(C)C)NC1C(C)C(OC)C1(CC)CC
InChIInChI=1S/C17H34N4O2/c1-8-17(9-2)14(12(4)15(17)23-7)20-16(18-10-3)19-11-13(22)21(5)6/h12,14-15H,8-11H2,1-7H3,(H2,18,19,20)
InChIKeyRMTIVSQPYBSGGZ-UHFFFAOYSA-N
MW326.49 g/mol
LogP1.47
Rot. Bonds7

About 2-[[[(2,2-diethyl-3-methoxy-4-methylcyclobutyl)amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide

2-[[[(2,2-diethyl-3-methoxy-4-methylcyclobutyl)amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110033675) has the molecular formula C17H34N4O2 and a molecular weight of 326.49 g/mol. Its IUPAC name is 2-[[[(2,2-diethyl-3-methoxy-4-methylcyclobutyl)amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[[(2,2-diethyl-3-methoxy-4-methylcyclobutyl)amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID110033675
Molecular FormulaC17H34N4O2
Molecular Weight326.49 g/mol
Exact Mass326.27
IUPAC Name2-[[[(2,2-diethyl-3-methoxy-4-methylcyclobutyl)amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCN/C(=N\CC(=O)N(C)C)NC1C(C)C(OC)C1(CC)CC
InChIInChI=1S/C17H34N4O2/c1-8-17(9-2)14(12(4)15(17)23-7)20-16(18-10-3)19-11-13(22)21(5)6/h12,14-15H,8-11H2,1-7H3,(H2,18,19,20)
InChIKeyRMTIVSQPYBSGGZ-UHFFFAOYSA-N
XLogP1.47
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 51.47
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

2-[[[(3-ethoxy-2,2-diethylcyclobutyl)amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 109390574
2-[[[(2,2-diethyl-3-methoxycyclobutyl)amino]-(2-methylsulfanylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110047965
2-[[[(2,2-diethyl-3-methoxycyclobutyl)amino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110047946
2-[[(cyclopropylmethylamino)-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111364983
2-[[ethylamino-[(2-methoxy-2-methylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 111607167
tert-butyl (4S)-3-[[N'-[2-(dimethylamino)-2-oxoethyl]-N-ethylcarbamimidoyl]amino]-4-methoxypyrrolidine-1-carboxylate
CID 110048963
2-[[butylamino(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111150712
2-[[ethylamino-[(3-ethylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 110041706
2-[[[(2-cyclohexylcyclopropyl)amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111775775
2-[[ethylamino-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 110042410
2-[[(3-cyclopropylpropylamino)-(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111796815
2-[[butylamino-[(2-methylcyclopropyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 111365555

Frequently Asked Questions

What is the IUPAC name of 2-[[[(2,2-diethyl-3-methoxy-4-methylcyclobutyl)amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[[(2,2-diethyl-3-methoxy-4-methylcyclobutyl)amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide (CID 110033675) is 2-[[[(2,2-diethyl-3-methoxy-4-methylcyclobutyl)amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[[(2,2-diethyl-3-methoxy-4-methylcyclobutyl)amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[[(2,2-diethyl-3-methoxy-4-methylcyclobutyl)amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide is CCN/C(=N\CC(=O)N(C)C)NC1C(C)C(OC)C1(CC)CC.
What is the InChIKey of 2-[[[(2,2-diethyl-3-methoxy-4-methylcyclobutyl)amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is RMTIVSQPYBSGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O2/c1-8-17(9-2)14(12(4)15(17)23-7)20-16(18-10-3)19-11-13(22)21(5)6/h12,14-15H,8-11H2,1-7H3,(H2,18,19,20).
What are the key properties of 2-[[[(2,2-diethyl-3-methoxy-4-methylcyclobutyl)amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[[(2,2-diethyl-3-methoxy-4-methylcyclobutyl)amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 326.49 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(2,2-diethyl-3-methoxy-4-methylcyclobutyl)amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110033675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).