N-(3-aminopropyl)-2,3-dimethylbut-2-enehydrazide

C9H19N3O — CID 54267557

IUPACN-(3-aminopropyl)-2,3-dimethylbut-2-enehydrazide
SMILESCC(C)=C(C)C(=O)N(N)CCCN
InChIInChI=1S/C9H19N3O/c1-7(2)8(3)9(13)12(11)6-4-5-10/h4-6,10-11H2,1-3H3
InChIKeyRHUYPKCRCWGSQT-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.39
Rot. Bonds4

About N-(3-aminopropyl)-2,3-dimethylbut-2-enehydrazide

N-(3-aminopropyl)-2,3-dimethylbut-2-enehydrazide (PubChem CID 54267557) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is N-(3-aminopropyl)-2,3-dimethylbut-2-enehydrazide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2,3-dimethylbut-2-enehydrazide
PubChem CID54267557
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC NameN-(3-aminopropyl)-2,3-dimethylbut-2-enehydrazide
SMILESCC(C)=C(C)C(=O)N(N)CCCN
InChIInChI=1S/C9H19N3O/c1-7(2)8(3)9(13)12(11)6-4-5-10/h4-6,10-11H2,1-3H3
InChIKeyRHUYPKCRCWGSQT-UHFFFAOYSA-N
XLogP0.39
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2,3-dimethylbut-2-enehydrazide?
The IUPAC name of N-(3-aminopropyl)-2,3-dimethylbut-2-enehydrazide (CID 54267557) is N-(3-aminopropyl)-2,3-dimethylbut-2-enehydrazide.
What is the SMILES notation for N-(3-aminopropyl)-2,3-dimethylbut-2-enehydrazide?
The canonical SMILES for N-(3-aminopropyl)-2,3-dimethylbut-2-enehydrazide is CC(C)=C(C)C(=O)N(N)CCCN.
What is the InChIKey of N-(3-aminopropyl)-2,3-dimethylbut-2-enehydrazide?
The InChIKey is RHUYPKCRCWGSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-7(2)8(3)9(13)12(11)6-4-5-10/h4-6,10-11H2,1-3H3.
What are the key properties of N-(3-aminopropyl)-2,3-dimethylbut-2-enehydrazide?
N-(3-aminopropyl)-2,3-dimethylbut-2-enehydrazide has a molecular weight of 185.27 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2,3-dimethylbut-2-enehydrazide is sourced from PubChem (CID 54267557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).