N'-(4-hydrazinylhex-5-enyl)propane-1,3-diamine

C9H22N4 — CID 138564639

IUPACN'-(4-hydrazinylhex-5-enyl)propane-1,3-diamine
SMILESC=CC(CCCNCCCN)NN
InChIInChI=1S/C9H22N4/c1-2-9(13-11)5-3-7-12-8-4-6-10/h2,9,12-13H,1,3-8,10-11H2
InChIKeyYNUNFVYBJXGTQK-UHFFFAOYSA-N
MW186.30 g/mol
LogP-0.28
Rot. Bonds9

About N'-(4-hydrazinylhex-5-enyl)propane-1,3-diamine

N'-(4-hydrazinylhex-5-enyl)propane-1,3-diamine (PubChem CID 138564639) has the molecular formula C9H22N4 and a molecular weight of 186.30 g/mol. Its IUPAC name is N'-(4-hydrazinylhex-5-enyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-hydrazinylhex-5-enyl)propane-1,3-diamine
PubChem CID138564639
Molecular FormulaC9H22N4
Molecular Weight186.30 g/mol
Exact Mass186.18
IUPAC NameN'-(4-hydrazinylhex-5-enyl)propane-1,3-diamine
SMILESC=CC(CCCNCCCN)NN
InChIInChI=1S/C9H22N4/c1-2-9(13-11)5-3-7-12-8-4-6-10/h2,9,12-13H,1,3-8,10-11H2
InChIKeyYNUNFVYBJXGTQK-UHFFFAOYSA-N
XLogP-0.28
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 5-0.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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'-(4-hydrazinylhex-5-enyl)propane-1,3-diamine?
The IUPAC name of N'-(4-hydrazinylhex-5-enyl)propane-1,3-diamine (CID 138564639) is N'-(4-hydrazinylhex-5-enyl)propane-1,3-diamine.
What is the SMILES notation for N'-(4-hydrazinylhex-5-enyl)propane-1,3-diamine?
The canonical SMILES for N'-(4-hydrazinylhex-5-enyl)propane-1,3-diamine is C=CC(CCCNCCCN)NN.
What is the InChIKey of N'-(4-hydrazinylhex-5-enyl)propane-1,3-diamine?
The InChIKey is YNUNFVYBJXGTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4/c1-2-9(13-11)5-3-7-12-8-4-6-10/h2,9,12-13H,1,3-8,10-11H2.
What are the key properties of N'-(4-hydrazinylhex-5-enyl)propane-1,3-diamine?
N'-(4-hydrazinylhex-5-enyl)propane-1,3-diamine has a molecular weight of 186.30 g/mol, XLogP of -0.28, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-hydrazinylhex-5-enyl)propane-1,3-diamine is sourced from PubChem (CID 138564639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).