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

C7H13N3 — CID 15368370

IUPAC1,2-bis(prop-2-enyl)guanidine
SMILESC=CC/N=C(\N)NCC=C
InChIInChI=1S/C7H13N3/c1-3-5-9-7(8)10-6-4-2/h3-4H,1-2,5-6H2,(H3,8,9,10)
InChIKeyFPLPIPAXTGCGRZ-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.26
Rot. Bonds4

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

1,2-bis(prop-2-enyl)guanidine (PubChem CID 15368370) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 1,2-bis(prop-2-enyl)guanidine.

Molecular Properties

Compound Name1,2-bis(prop-2-enyl)guanidine
PubChem CID15368370
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name1,2-bis(prop-2-enyl)guanidine
SMILESC=CC/N=C(\N)NCC=C
InChIInChI=1S/C7H13N3/c1-3-5-9-7(8)10-6-4-2/h3-4H,1-2,5-6H2,(H3,8,9,10)
InChIKeyFPLPIPAXTGCGRZ-UHFFFAOYSA-N
XLogP0.26
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.26
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Allyl-3-(4-aminobutyl)guanidine
CID 135469301
Biguanide, 1-allyl-, monohydrochloride
CID 176517138
2-(2,2-Difluoroethyl)-1-prop-2-enylguanidine
CID 131202418
2-(2-Fluoroethyl)-1-prop-2-enylguanidine
CID 137216592
N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine
CID 12024894
2-Methyl-1-prop-2-enylguanidine
CID 18952267
1-prop-2-enyl-2H-1,3,5-triazine-2,4,6-triamine
CID 19871397
1-(Diaminomethylidene)-2-methyl-3-prop-2-enylguanidine
CID 21534138
1,1,2,3-Tetrakis(prop-2-enyl)guanidine
CID 21753361
3-(Diaminomethylidene)-1,2-dimethyl-1-prop-2-enylguanidine
CID 22915573
N,N'-bis(allyl)-N"-cyanoguanidine
CID 54000790
1,2-Dimethyl-3-prop-2-enylguanidine
CID 55218998

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(prop-2-enyl)guanidine?
The IUPAC name of 1,2-bis(prop-2-enyl)guanidine (CID 15368370) is 1,2-bis(prop-2-enyl)guanidine.
What is the SMILES notation for 1,2-bis(prop-2-enyl)guanidine?
The canonical SMILES for 1,2-bis(prop-2-enyl)guanidine is C=CC/N=C(\N)NCC=C.
What is the InChIKey of 1,2-bis(prop-2-enyl)guanidine?
The InChIKey is FPLPIPAXTGCGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-3-5-9-7(8)10-6-4-2/h3-4H,1-2,5-6H2,(H3,8,9,10).
What are the key properties of 1,2-bis(prop-2-enyl)guanidine?
1,2-bis(prop-2-enyl)guanidine has a molecular weight of 139.20 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(prop-2-enyl)guanidine is sourced from PubChem (CID 15368370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).