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

C13H27N5O — CID 104888371

IUPAC3-[[(cyclopentylamino)-hydrazinylmethylidene]amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CC/N=C(\NN)NC1CCCC1
InChIInChI=1S/C13H27N5O/c1-3-18(4-2)12(19)9-10-15-13(17-14)16-11-7-5-6-8-11/h11H,3-10,14H2,1-2H3,(H2,15,16,17)
InChIKeyGRAOPGAQDPMQJM-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.60
Rot. Bonds6

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

3-[[(cyclopentylamino)-hydrazinylmethylidene]amino]-N,N-diethylpropanamide (PubChem CID 104888371) has the molecular formula C13H27N5O and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-[[(cyclopentylamino)-hydrazinylmethylidene]amino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-[[(cyclopentylamino)-hydrazinylmethylidene]amino]-N,N-diethylpropanamide
PubChem CID104888371
Molecular FormulaC13H27N5O
Molecular Weight269.39 g/mol
Exact Mass269.22
IUPAC Name3-[[(cyclopentylamino)-hydrazinylmethylidene]amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CC/N=C(\NN)NC1CCCC1
InChIInChI=1S/C13H27N5O/c1-3-18(4-2)12(19)9-10-15-13(17-14)16-11-7-5-6-8-11/h11H,3-10,14H2,1-2H3,(H2,15,16,17)
InChIKeyGRAOPGAQDPMQJM-UHFFFAOYSA-N
XLogP0.60
TPSA82.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.60
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-[[(cyclopropylamino)-hydrazinylmethylidene]amino]-N,N-diethylpropanamide
CID 104888373
N-tert-butyl-3-[[(cyclopentylamino)-hydrazinylmethylidene]amino]propanamide
CID 104888342
2-[[(cyclopentylamino)-hydrazinylmethylidene]amino]-N-ethylacetamide
CID 104883990
2-[[amino-(cyclohexylamino)methylidene]amino]-N,N-diethylacetamide
CID 112689629
2-[[(cyclopentylamino)-hydrazinylmethylidene]amino]acetamide
CID 104882876
ethyl 7-[[(cyclopentylamino)-(ethylamino)methylidene]amino]heptanoate
CID 110992531
1-amino-3-cyclopropyl-2-[3-(diethylamino)propyl]guanidine
CID 104883068
1-amino-3-cyclohexyl-2-(3-methylsulfanylpropyl)guanidine
CID 104886471
3-[[[2-[(2-cyclopentylacetyl)amino]ethylamino]-(ethylamino)methylidene]amino]-N,N-diethylpropanamide;hydroiodide
CID 111942248
1-amino-3-cyclopentyl-2-(cyclopentylmethyl)guanidine
CID 104883783
1-amino-2-(2-cyclohexylethyl)-3-cyclopropylguanidine
CID 104884183
N,N-diethyl-3-[[ethylamino-[(1-phenylpyrrolidin-3-yl)amino]methylidene]amino]propanamide
CID 111910441

Frequently Asked Questions

What is the IUPAC name of 3-[[(cyclopentylamino)-hydrazinylmethylidene]amino]-N,N-diethylpropanamide?
The IUPAC name of 3-[[(cyclopentylamino)-hydrazinylmethylidene]amino]-N,N-diethylpropanamide (CID 104888371) is 3-[[(cyclopentylamino)-hydrazinylmethylidene]amino]-N,N-diethylpropanamide.
What is the SMILES notation for 3-[[(cyclopentylamino)-hydrazinylmethylidene]amino]-N,N-diethylpropanamide?
The canonical SMILES for 3-[[(cyclopentylamino)-hydrazinylmethylidene]amino]-N,N-diethylpropanamide is CCN(CC)C(=O)CC/N=C(\NN)NC1CCCC1.
What is the InChIKey of 3-[[(cyclopentylamino)-hydrazinylmethylidene]amino]-N,N-diethylpropanamide?
The InChIKey is GRAOPGAQDPMQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N5O/c1-3-18(4-2)12(19)9-10-15-13(17-14)16-11-7-5-6-8-11/h11H,3-10,14H2,1-2H3,(H2,15,16,17).
What are the key properties of 3-[[(cyclopentylamino)-hydrazinylmethylidene]amino]-N,N-diethylpropanamide?
3-[[(cyclopentylamino)-hydrazinylmethylidene]amino]-N,N-diethylpropanamide has a molecular weight of 269.39 g/mol, XLogP of 0.60, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(cyclopentylamino)-hydrazinylmethylidene]amino]-N,N-diethylpropanamide is sourced from PubChem (CID 104888371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).