1,3-bis[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]guanidine

C10H17N3 — CID 58030691

IUPAC1,3-bis[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]guanidine
SMILESC/C=C\N=C(N/C=C/C)N/C=C/C
InChIInChI=1S/C10H17N3/c1-4-7-11-10(12-8-5-2)13-9-6-3/h4-9H,1-3H3,(H2,11,12,13)/b7-4-,8-5+,9-6+
InChIKeyLCUVEOXXRXIQII-OQMAIZNUSA-N
MW179.27 g/mol
LogP2.12
Rot. Bonds3

About 1,3-bis[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]guanidine

1,3-bis[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]guanidine (PubChem CID 58030691) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1,3-bis[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]guanidine.

Molecular Properties

Compound Name1,3-bis[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]guanidine
PubChem CID58030691
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1,3-bis[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]guanidine
SMILESC/C=C\N=C(N/C=C/C)N/C=C/C
InChIInChI=1S/C10H17N3/c1-4-7-11-10(12-8-5-2)13-9-6-3/h4-9H,1-3H3,(H2,11,12,13)/b7-4-,8-5+,9-6+
InChIKeyLCUVEOXXRXIQII-OQMAIZNUSA-N
XLogP2.12
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.12
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'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]guanidine?
The IUPAC name of 1,3-bis[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]guanidine (CID 58030691) is 1,3-bis[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]guanidine.
What is the SMILES notation for 1,3-bis[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]guanidine?
The canonical SMILES for 1,3-bis[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]guanidine is C/C=C\N=C(N/C=C/C)N/C=C/C.
What is the InChIKey of 1,3-bis[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]guanidine?
The InChIKey is LCUVEOXXRXIQII-OQMAIZNUSA-N. The full InChI is InChI=1S/C10H17N3/c1-4-7-11-10(12-8-5-2)13-9-6-3/h4-9H,1-3H3,(H2,11,12,13)/b7-4-,8-5+,9-6+.
What are the key properties of 1,3-bis[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]guanidine?
1,3-bis[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]guanidine has a molecular weight of 179.27 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]guanidine is sourced from PubChem (CID 58030691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).