1,2-bis(prop-2-enyl)-1-propylguanidine

C10H19N3 — CID 23281969

IUPAC1,2-bis(prop-2-enyl)-1-propylguanidine
SMILESC=CC/N=C(\N)N(CC=C)CCC
InChIInChI=1S/C10H19N3/c1-4-7-12-10(11)13(8-5-2)9-6-3/h4-5H,1-2,6-9H2,3H3,(H2,11,12)
InChIKeyMZXQLMOVMDLECY-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.39
Rot. Bonds6

About 1,2-bis(prop-2-enyl)-1-propylguanidine

1,2-bis(prop-2-enyl)-1-propylguanidine (PubChem CID 23281969) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 1,2-bis(prop-2-enyl)-1-propylguanidine.

Molecular Properties

Compound Name1,2-bis(prop-2-enyl)-1-propylguanidine
PubChem CID23281969
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name1,2-bis(prop-2-enyl)-1-propylguanidine
SMILESC=CC/N=C(\N)N(CC=C)CCC
InChIInChI=1S/C10H19N3/c1-4-7-12-10(11)13(8-5-2)9-6-3/h4-5H,1-2,6-9H2,3H3,(H2,11,12)
InChIKeyMZXQLMOVMDLECY-UHFFFAOYSA-N
XLogP1.39
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.39
H-Bond Donors ≤ 51
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(prop-2-enyl)-1-propylguanidine?
The IUPAC name of 1,2-bis(prop-2-enyl)-1-propylguanidine (CID 23281969) is 1,2-bis(prop-2-enyl)-1-propylguanidine.
What is the SMILES notation for 1,2-bis(prop-2-enyl)-1-propylguanidine?
The canonical SMILES for 1,2-bis(prop-2-enyl)-1-propylguanidine is C=CC/N=C(\N)N(CC=C)CCC.
What is the InChIKey of 1,2-bis(prop-2-enyl)-1-propylguanidine?
The InChIKey is MZXQLMOVMDLECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-4-7-12-10(11)13(8-5-2)9-6-3/h4-5H,1-2,6-9H2,3H3,(H2,11,12).
What are the key properties of 1,2-bis(prop-2-enyl)-1-propylguanidine?
1,2-bis(prop-2-enyl)-1-propylguanidine has a molecular weight of 181.28 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(prop-2-enyl)-1-propylguanidine is sourced from PubChem (CID 23281969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).