3-[[2-(iodoamino)hydrazinyl]methyl]pent-1-ene

C6H14IN3 — CID 89302422

IUPAC3-[[2-(iodoamino)hydrazinyl]methyl]pent-1-ene
SMILESC=CC(CC)CNNNI
InChIInChI=1S/C6H14IN3/c1-3-6(4-2)5-8-10-9-7/h3,6,8-10H,1,4-5H2,2H3
InChIKeyYSNLMDNURMTKAC-UHFFFAOYSA-N
MW255.10 g/mol
LogP1.15
Rot. Bonds6

About 3-[[2-(iodoamino)hydrazinyl]methyl]pent-1-ene

3-[[2-(iodoamino)hydrazinyl]methyl]pent-1-ene (PubChem CID 89302422) has the molecular formula C6H14IN3 and a molecular weight of 255.10 g/mol. Its IUPAC name is 3-[[2-(iodoamino)hydrazinyl]methyl]pent-1-ene.

Molecular Properties

Compound Name3-[[2-(iodoamino)hydrazinyl]methyl]pent-1-ene
PubChem CID89302422
Molecular FormulaC6H14IN3
Molecular Weight255.10 g/mol
Exact Mass255.02
IUPAC Name3-[[2-(iodoamino)hydrazinyl]methyl]pent-1-ene
SMILESC=CC(CC)CNNNI
InChIInChI=1S/C6H14IN3/c1-3-6(4-2)5-8-10-9-7/h3,6,8-10H,1,4-5H2,2H3
InChIKeyYSNLMDNURMTKAC-UHFFFAOYSA-N
XLogP1.15
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.10
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-halo', '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 3-[[2-(iodoamino)hydrazinyl]methyl]pent-1-ene?
The IUPAC name of 3-[[2-(iodoamino)hydrazinyl]methyl]pent-1-ene (CID 89302422) is 3-[[2-(iodoamino)hydrazinyl]methyl]pent-1-ene.
What is the SMILES notation for 3-[[2-(iodoamino)hydrazinyl]methyl]pent-1-ene?
The canonical SMILES for 3-[[2-(iodoamino)hydrazinyl]methyl]pent-1-ene is C=CC(CC)CNNNI.
What is the InChIKey of 3-[[2-(iodoamino)hydrazinyl]methyl]pent-1-ene?
The InChIKey is YSNLMDNURMTKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14IN3/c1-3-6(4-2)5-8-10-9-7/h3,6,8-10H,1,4-5H2,2H3.
What are the key properties of 3-[[2-(iodoamino)hydrazinyl]methyl]pent-1-ene?
3-[[2-(iodoamino)hydrazinyl]methyl]pent-1-ene has a molecular weight of 255.10 g/mol, XLogP of 1.15, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(iodoamino)hydrazinyl]methyl]pent-1-ene is sourced from PubChem (CID 89302422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).