3-[2-cyanoethyl(cyclopropyl)amino]-2-methylbutanehydrazide

C11H20N4O — CID 79409545

IUPAC3-[2-cyanoethyl(cyclopropyl)amino]-2-methylbutanehydrazide
SMILESCC(C(=O)NN)C(C)N(CCC#N)C1CC1
InChIInChI=1S/C11H20N4O/c1-8(11(16)14-13)9(2)15(7-3-6-12)10-4-5-10/h8-10H,3-5,7,13H2,1-2H3,(H,14,16)
InChIKeyQHMAUKWYOJRRBL-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.38
Rot. Bonds6

About 3-[2-cyanoethyl(cyclopropyl)amino]-2-methylbutanehydrazide

3-[2-cyanoethyl(cyclopropyl)amino]-2-methylbutanehydrazide (PubChem CID 79409545) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-[2-cyanoethyl(cyclopropyl)amino]-2-methylbutanehydrazide.

Molecular Properties

Compound Name3-[2-cyanoethyl(cyclopropyl)amino]-2-methylbutanehydrazide
PubChem CID79409545
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-[2-cyanoethyl(cyclopropyl)amino]-2-methylbutanehydrazide
SMILESCC(C(=O)NN)C(C)N(CCC#N)C1CC1
InChIInChI=1S/C11H20N4O/c1-8(11(16)14-13)9(2)15(7-3-6-12)10-4-5-10/h8-10H,3-5,7,13H2,1-2H3,(H,14,16)
InChIKeyQHMAUKWYOJRRBL-UHFFFAOYSA-N
XLogP0.38
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[cyclobutyl(2-hydroxyethyl)amino]-2-methylbutanehydrazide
CID 102873737
3-[ethyl(piperidin-4-yl)amino]-2-methylbutanehydrazide
CID 79408588
2-[2-cyanoethyl(cyclopropyl)amino]-N-(ethylcarbamoyl)propanamide
CID 54982242
3-[N-(2-cyanoethyl)anilino]-2-methylbutanehydrazide
CID 79409744
3-[[4-(methylamino)cyclohexyl]-propan-2-ylamino]propanenitrile
CID 114763078
3-[cyclopropyl(pentan-3-yl)amino]propanenitrile
CID 112733986
(2S,3S)-2-amino-N-(2-cyanoethyl)-N-cyclopropyl-3-methylpentanamide
CID 61157435
2-(aminomethyl)-N-(2-cyanoethyl)-N-cyclopropyl-3-methylbutanamide
CID 65227520
4-[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]-2-methylbutanoic acid
CID 80541763
N-(2-cyanoethyl)-N-cyclopropyl-3-(ethylamino)-2-methylpropanamide
CID 62854021
2-[cyclopropyl(2-methylpropyl)amino]butanehydrazide
CID 63584160
(2S)-2-[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]-3-methylpentanoic acid
CID 54997515

Frequently Asked Questions

What is the IUPAC name of 3-[2-cyanoethyl(cyclopropyl)amino]-2-methylbutanehydrazide?
The IUPAC name of 3-[2-cyanoethyl(cyclopropyl)amino]-2-methylbutanehydrazide (CID 79409545) is 3-[2-cyanoethyl(cyclopropyl)amino]-2-methylbutanehydrazide.
What is the SMILES notation for 3-[2-cyanoethyl(cyclopropyl)amino]-2-methylbutanehydrazide?
The canonical SMILES for 3-[2-cyanoethyl(cyclopropyl)amino]-2-methylbutanehydrazide is CC(C(=O)NN)C(C)N(CCC#N)C1CC1.
What is the InChIKey of 3-[2-cyanoethyl(cyclopropyl)amino]-2-methylbutanehydrazide?
The InChIKey is QHMAUKWYOJRRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8(11(16)14-13)9(2)15(7-3-6-12)10-4-5-10/h8-10H,3-5,7,13H2,1-2H3,(H,14,16).
What are the key properties of 3-[2-cyanoethyl(cyclopropyl)amino]-2-methylbutanehydrazide?
3-[2-cyanoethyl(cyclopropyl)amino]-2-methylbutanehydrazide has a molecular weight of 224.31 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyanoethyl(cyclopropyl)amino]-2-methylbutanehydrazide is sourced from PubChem (CID 79409545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).