1-[(1Z)-buta-1,3-dienyl]-2-propylguanidine

C8H15N3 — CID 89205394

IUPAC1-[(1Z)-buta-1,3-dienyl]-2-propylguanidine
SMILESC=C/C=C\N/C(N)=N/CCC
InChIInChI=1S/C8H15N3/c1-3-5-7-11-8(9)10-6-4-2/h3,5,7H,1,4,6H2,2H3,(H3,9,10,11)/b7-5-
InChIKeyNKSPJFAFQVCRQB-ALCCZGGFSA-N
MW153.23 g/mol
LogP1.00
Rot. Bonds4

About 1-[(1Z)-buta-1,3-dienyl]-2-propylguanidine

1-[(1Z)-buta-1,3-dienyl]-2-propylguanidine (PubChem CID 89205394) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 1-[(1Z)-buta-1,3-dienyl]-2-propylguanidine.

Molecular Properties

Compound Name1-[(1Z)-buta-1,3-dienyl]-2-propylguanidine
PubChem CID89205394
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name1-[(1Z)-buta-1,3-dienyl]-2-propylguanidine
SMILESC=C/C=C\N/C(N)=N/CCC
InChIInChI=1S/C8H15N3/c1-3-5-7-11-8(9)10-6-4-2/h3,5,7H,1,4,6H2,2H3,(H3,9,10,11)/b7-5-
InChIKeyNKSPJFAFQVCRQB-ALCCZGGFSA-N
XLogP1.00
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(1Z)-buta-1,3-dienyl]-2-propylguanidine?
The IUPAC name of 1-[(1Z)-buta-1,3-dienyl]-2-propylguanidine (CID 89205394) is 1-[(1Z)-buta-1,3-dienyl]-2-propylguanidine.
What is the SMILES notation for 1-[(1Z)-buta-1,3-dienyl]-2-propylguanidine?
The canonical SMILES for 1-[(1Z)-buta-1,3-dienyl]-2-propylguanidine is C=C/C=C\N/C(N)=N/CCC.
What is the InChIKey of 1-[(1Z)-buta-1,3-dienyl]-2-propylguanidine?
The InChIKey is NKSPJFAFQVCRQB-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H15N3/c1-3-5-7-11-8(9)10-6-4-2/h3,5,7H,1,4,6H2,2H3,(H3,9,10,11)/b7-5-.
What are the key properties of 1-[(1Z)-buta-1,3-dienyl]-2-propylguanidine?
1-[(1Z)-buta-1,3-dienyl]-2-propylguanidine has a molecular weight of 153.23 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1Z)-buta-1,3-dienyl]-2-propylguanidine is sourced from PubChem (CID 89205394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).