2-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]guanidine

C9H17N3 — CID 156509738

IUPAC2-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]guanidine
SMILESC/C=C\C(=C/CC)CN=C(N)N
InChIInChI=1S/C9H17N3/c1-3-5-8(6-4-2)7-12-9(10)11/h3,5-6H,4,7H2,1-2H3,(H4,10,11,12)/b5-3-,8-6+
InChIKeyLMLJFCNHRYBETB-CUKJDEOPSA-N
MW167.26 g/mol
LogP1.17
Rot. Bonds4

About 2-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]guanidine

2-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]guanidine (PubChem CID 156509738) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 2-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]guanidine.

Molecular Properties

Compound Name2-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]guanidine
PubChem CID156509738
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name2-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]guanidine
SMILESC/C=C\C(=C/CC)CN=C(N)N
InChIInChI=1S/C9H17N3/c1-3-5-8(6-4-2)7-12-9(10)11/h3,5-6H,4,7H2,1-2H3,(H4,10,11,12)/b5-3-,8-6+
InChIKeyLMLJFCNHRYBETB-CUKJDEOPSA-N
XLogP1.17
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.17
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 2-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]guanidine?
The IUPAC name of 2-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]guanidine (CID 156509738) is 2-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]guanidine.
What is the SMILES notation for 2-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]guanidine?
The canonical SMILES for 2-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]guanidine is C/C=C\C(=C/CC)CN=C(N)N.
What is the InChIKey of 2-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]guanidine?
The InChIKey is LMLJFCNHRYBETB-CUKJDEOPSA-N. The full InChI is InChI=1S/C9H17N3/c1-3-5-8(6-4-2)7-12-9(10)11/h3,5-6H,4,7H2,1-2H3,(H4,10,11,12)/b5-3-,8-6+.
What are the key properties of 2-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]guanidine?
2-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]guanidine has a molecular weight of 167.26 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]guanidine is sourced from PubChem (CID 156509738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).