N-[1-(2-hydrazinylcyclopenten-1-yl)ethenyl]butan-1-amine

C11H21N3 — CID 167281321

IUPACN-[1-(2-hydrazinylcyclopenten-1-yl)ethenyl]butan-1-amine
SMILESC=C(NCCCC)C1=C(NN)CCC1
InChIInChI=1S/C11H21N3/c1-3-4-8-13-9(2)10-6-5-7-11(10)14-12/h13-14H,2-8,12H2,1H3
InChIKeyZFXLMYCDYZBTPI-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.79
Rot. Bonds6

About N-[1-(2-hydrazinylcyclopenten-1-yl)ethenyl]butan-1-amine

N-[1-(2-hydrazinylcyclopenten-1-yl)ethenyl]butan-1-amine (PubChem CID 167281321) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N-[1-(2-hydrazinylcyclopenten-1-yl)ethenyl]butan-1-amine.

Molecular Properties

Compound NameN-[1-(2-hydrazinylcyclopenten-1-yl)ethenyl]butan-1-amine
PubChem CID167281321
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN-[1-(2-hydrazinylcyclopenten-1-yl)ethenyl]butan-1-amine
SMILESC=C(NCCCC)C1=C(NN)CCC1
InChIInChI=1S/C11H21N3/c1-3-4-8-13-9(2)10-6-5-7-11(10)14-12/h13-14H,2-8,12H2,1H3
InChIKeyZFXLMYCDYZBTPI-UHFFFAOYSA-N
XLogP1.79
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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-[1-(2-hydrazinylcyclopenten-1-yl)ethenyl]butan-1-amine?
The IUPAC name of N-[1-(2-hydrazinylcyclopenten-1-yl)ethenyl]butan-1-amine (CID 167281321) is N-[1-(2-hydrazinylcyclopenten-1-yl)ethenyl]butan-1-amine.
What is the SMILES notation for N-[1-(2-hydrazinylcyclopenten-1-yl)ethenyl]butan-1-amine?
The canonical SMILES for N-[1-(2-hydrazinylcyclopenten-1-yl)ethenyl]butan-1-amine is C=C(NCCCC)C1=C(NN)CCC1.
What is the InChIKey of N-[1-(2-hydrazinylcyclopenten-1-yl)ethenyl]butan-1-amine?
The InChIKey is ZFXLMYCDYZBTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-3-4-8-13-9(2)10-6-5-7-11(10)14-12/h13-14H,2-8,12H2,1H3.
What are the key properties of N-[1-(2-hydrazinylcyclopenten-1-yl)ethenyl]butan-1-amine?
N-[1-(2-hydrazinylcyclopenten-1-yl)ethenyl]butan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 1.79, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydrazinylcyclopenten-1-yl)ethenyl]butan-1-amine is sourced from PubChem (CID 167281321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).