3-[[hydrazinyl-(3-methoxypropylamino)methylidene]amino]-N,2,2-trimethylpropanamide

C11H25N5O2 — CID 106280948

IUPAC3-[[hydrazinyl-(3-methoxypropylamino)methylidene]amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)C/N=C(/NN)NCCCOC
InChIInChI=1S/C11H25N5O2/c1-11(2,9(17)13-3)8-15-10(16-12)14-6-5-7-18-4/h5-8,12H2,1-4H3,(H,13,17)(H2,14,15,16)
InChIKeyCQXBARRVRSIBCM-UHFFFAOYSA-N
MW259.35 g/mol
LogP-0.80
Rot. Bonds7

About 3-[[hydrazinyl-(3-methoxypropylamino)methylidene]amino]-N,2,2-trimethylpropanamide

3-[[hydrazinyl-(3-methoxypropylamino)methylidene]amino]-N,2,2-trimethylpropanamide (PubChem CID 106280948) has the molecular formula C11H25N5O2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-[[hydrazinyl-(3-methoxypropylamino)methylidene]amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[[hydrazinyl-(3-methoxypropylamino)methylidene]amino]-N,2,2-trimethylpropanamide
PubChem CID106280948
Molecular FormulaC11H25N5O2
Molecular Weight259.35 g/mol
Exact Mass259.20
IUPAC Name3-[[hydrazinyl-(3-methoxypropylamino)methylidene]amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)C/N=C(/NN)NCCCOC
InChIInChI=1S/C11H25N5O2/c1-11(2,9(17)13-3)8-15-10(16-12)14-6-5-7-18-4/h5-8,12H2,1-4H3,(H,13,17)(H2,14,15,16)
InChIKeyCQXBARRVRSIBCM-UHFFFAOYSA-N
XLogP-0.80
TPSA100.77 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 5-0.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[[ethylamino-(3-methoxypropylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
CID 110976492
1-amino-2-(2-methoxypropyl)-3-(3-methoxypropyl)guanidine
CID 102702156
3-(3-methoxypropylcarbamothioylamino)-N,2,2-trimethylpropanamide
CID 103822776
1-amino-3-(3-methoxypropyl)-2-(2-methyl-2-thiophen-2-ylpropyl)guanidine
CID 116515911
1-amino-3-(2-methoxyethyl)-2-(2,2,2-trifluoroethyl)guanidine
CID 104883049
N-(3-methoxypropyl)-2,2-dimethylbutanamide
CID 4634900
3-[[ethylamino-(2-methoxyethylamino)methylidene]amino]-2,2-dimethylpropanamide
CID 110942506
2-[[N-amino-N'-(3-methoxypropyl)carbamimidoyl]amino]ethyl carbamate
CID 104888085
N-(3-methoxypropyl)-2,2-dimethylpropanamide
CID 4152468
4-methoxy-N,2,2-trimethylbutanamide
CID 90785811
3-[[N-amino-N'-(2-methoxyethyl)carbamimidoyl]amino]propanamide
CID 104883842
2,2-diiodo-N-(3-methoxypropyl)propanamide
CID 170194646

Frequently Asked Questions

What is the IUPAC name of 3-[[hydrazinyl-(3-methoxypropylamino)methylidene]amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[[hydrazinyl-(3-methoxypropylamino)methylidene]amino]-N,2,2-trimethylpropanamide (CID 106280948) is 3-[[hydrazinyl-(3-methoxypropylamino)methylidene]amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[[hydrazinyl-(3-methoxypropylamino)methylidene]amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[[hydrazinyl-(3-methoxypropylamino)methylidene]amino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)C/N=C(/NN)NCCCOC.
What is the InChIKey of 3-[[hydrazinyl-(3-methoxypropylamino)methylidene]amino]-N,2,2-trimethylpropanamide?
The InChIKey is CQXBARRVRSIBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N5O2/c1-11(2,9(17)13-3)8-15-10(16-12)14-6-5-7-18-4/h5-8,12H2,1-4H3,(H,13,17)(H2,14,15,16).
What are the key properties of 3-[[hydrazinyl-(3-methoxypropylamino)methylidene]amino]-N,2,2-trimethylpropanamide?
3-[[hydrazinyl-(3-methoxypropylamino)methylidene]amino]-N,2,2-trimethylpropanamide has a molecular weight of 259.35 g/mol, XLogP of -0.80, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[hydrazinyl-(3-methoxypropylamino)methylidene]amino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106280948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).