1,2-bis(prop-1-enyl)-3-propylideneguanidine

C10H17N3 — CID 123603688

IUPAC1,2-bis(prop-1-enyl)-3-propylideneguanidine
SMILESCC=C/N=C(\N=CCC)NC=CC
InChIInChI=1S/C10H17N3/c1-4-7-11-10(12-8-5-2)13-9-6-3/h4-5,7-9H,6H2,1-3H3,(H,11,12)
InChIKeySWPJBGMDJCCYNI-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.48
Rot. Bonds3

About 1,2-bis(prop-1-enyl)-3-propylideneguanidine

1,2-bis(prop-1-enyl)-3-propylideneguanidine (PubChem CID 123603688) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1,2-bis(prop-1-enyl)-3-propylideneguanidine.

Molecular Properties

Compound Name1,2-bis(prop-1-enyl)-3-propylideneguanidine
PubChem CID123603688
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1,2-bis(prop-1-enyl)-3-propylideneguanidine
SMILESCC=C/N=C(\N=CCC)NC=CC
InChIInChI=1S/C10H17N3/c1-4-7-11-10(12-8-5-2)13-9-6-3/h4-5,7-9H,6H2,1-3H3,(H,11,12)
InChIKeySWPJBGMDJCCYNI-UHFFFAOYSA-N
XLogP2.48
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.48
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'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(prop-1-enyl)-3-propylideneguanidine?
The IUPAC name of 1,2-bis(prop-1-enyl)-3-propylideneguanidine (CID 123603688) is 1,2-bis(prop-1-enyl)-3-propylideneguanidine.
What is the SMILES notation for 1,2-bis(prop-1-enyl)-3-propylideneguanidine?
The canonical SMILES for 1,2-bis(prop-1-enyl)-3-propylideneguanidine is CC=C/N=C(\N=CCC)NC=CC.
What is the InChIKey of 1,2-bis(prop-1-enyl)-3-propylideneguanidine?
The InChIKey is SWPJBGMDJCCYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-4-7-11-10(12-8-5-2)13-9-6-3/h4-5,7-9H,6H2,1-3H3,(H,11,12).
What are the key properties of 1,2-bis(prop-1-enyl)-3-propylideneguanidine?
1,2-bis(prop-1-enyl)-3-propylideneguanidine has a molecular weight of 179.27 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(prop-1-enyl)-3-propylideneguanidine is sourced from PubChem (CID 123603688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).