3-[[(cyclopropylamino)-hydrazinylmethylidene]amino]-N,N-diethylpropanamide

C11H23N5O — CID 104888373

IUPAC3-[[(cyclopropylamino)-hydrazinylmethylidene]amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CC/N=C(\NN)NC1CC1
InChIInChI=1S/C11H23N5O/c1-3-16(4-2)10(17)7-8-13-11(15-12)14-9-5-6-9/h9H,3-8,12H2,1-2H3,(H2,13,14,15)
InChIKeyYAASQUSQGHCOIH-UHFFFAOYSA-N
MW241.34 g/mol
LogP-0.18
Rot. Bonds6

About 3-[[(cyclopropylamino)-hydrazinylmethylidene]amino]-N,N-diethylpropanamide

3-[[(cyclopropylamino)-hydrazinylmethylidene]amino]-N,N-diethylpropanamide (PubChem CID 104888373) has the molecular formula C11H23N5O and a molecular weight of 241.34 g/mol. Its IUPAC name is 3-[[(cyclopropylamino)-hydrazinylmethylidene]amino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-[[(cyclopropylamino)-hydrazinylmethylidene]amino]-N,N-diethylpropanamide
PubChem CID104888373
Molecular FormulaC11H23N5O
Molecular Weight241.34 g/mol
Exact Mass241.19
IUPAC Name3-[[(cyclopropylamino)-hydrazinylmethylidene]amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CC/N=C(\NN)NC1CC1
InChIInChI=1S/C11H23N5O/c1-3-16(4-2)10(17)7-8-13-11(15-12)14-9-5-6-9/h9H,3-8,12H2,1-2H3,(H2,13,14,15)
InChIKeyYAASQUSQGHCOIH-UHFFFAOYSA-N
XLogP-0.18
TPSA82.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-[[(cyclopentylamino)-hydrazinylmethylidene]amino]-N,N-diethylpropanamide
CID 104888371
1-amino-3-cyclopropyl-2-[3-(diethylamino)propyl]guanidine
CID 104883068
N-tert-butyl-3-[[(cyclopentylamino)-hydrazinylmethylidene]amino]propanamide
CID 104888342
1-amino-3-cyclopropyl-2-(2-cyclopropylethyl)guanidine
CID 104887133
2-[[(cyclopropylamino)-hydrazinylmethylidene]amino]-N-methylacetamide
CID 104883713
3-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]-N,N-dimethylpropanamide;hydroiodide
CID 111190417
N,N-diethyl-3-[[ethylamino-[(1-phenylpyrrolidin-3-yl)amino]methylidene]amino]propanamide
CID 111910441
1-amino-3-cyclopropyl-2-(3,3,3-trifluoropropyl)guanidine
CID 104885808
1-amino-2-(2-cyclobutylethyl)-3-cyclopropylguanidine
CID 104888658
1-amino-2-(2-cyclohexylethyl)-3-cyclopropylguanidine
CID 104884183
1-amino-3-cyclopropyl-2-(2-ethoxypropyl)guanidine
CID 104888647
2-[[(cyclopentylamino)-hydrazinylmethylidene]amino]-N-ethylacetamide
CID 104883990

Frequently Asked Questions

What is the IUPAC name of 3-[[(cyclopropylamino)-hydrazinylmethylidene]amino]-N,N-diethylpropanamide?
The IUPAC name of 3-[[(cyclopropylamino)-hydrazinylmethylidene]amino]-N,N-diethylpropanamide (CID 104888373) is 3-[[(cyclopropylamino)-hydrazinylmethylidene]amino]-N,N-diethylpropanamide.
What is the SMILES notation for 3-[[(cyclopropylamino)-hydrazinylmethylidene]amino]-N,N-diethylpropanamide?
The canonical SMILES for 3-[[(cyclopropylamino)-hydrazinylmethylidene]amino]-N,N-diethylpropanamide is CCN(CC)C(=O)CC/N=C(\NN)NC1CC1.
What is the InChIKey of 3-[[(cyclopropylamino)-hydrazinylmethylidene]amino]-N,N-diethylpropanamide?
The InChIKey is YAASQUSQGHCOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5O/c1-3-16(4-2)10(17)7-8-13-11(15-12)14-9-5-6-9/h9H,3-8,12H2,1-2H3,(H2,13,14,15).
What are the key properties of 3-[[(cyclopropylamino)-hydrazinylmethylidene]amino]-N,N-diethylpropanamide?
3-[[(cyclopropylamino)-hydrazinylmethylidene]amino]-N,N-diethylpropanamide has a molecular weight of 241.34 g/mol, XLogP of -0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(cyclopropylamino)-hydrazinylmethylidene]amino]-N,N-diethylpropanamide is sourced from PubChem (CID 104888373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).