1,2-bis(prop-1-en-2-yl)guanidine

C7H13N3 — CID 142632288

IUPAC1,2-bis(prop-1-en-2-yl)guanidine
SMILESC=C(C)/N=C(\N)NC(=C)C
InChIInChI=1S/C7H13N3/c1-5(2)9-7(8)10-6(3)4/h1,3H2,2,4H3,(H3,8,9,10)
InChIKeyLRTHXVPMMZVSMG-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.96
Rot. Bonds2

About 1,2-bis(prop-1-en-2-yl)guanidine

1,2-bis(prop-1-en-2-yl)guanidine (PubChem CID 142632288) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 1,2-bis(prop-1-en-2-yl)guanidine.

Molecular Properties

Compound Name1,2-bis(prop-1-en-2-yl)guanidine
PubChem CID142632288
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name1,2-bis(prop-1-en-2-yl)guanidine
SMILESC=C(C)/N=C(\N)NC(=C)C
InChIInChI=1S/C7H13N3/c1-5(2)9-7(8)10-6(3)4/h1,3H2,2,4H3,(H3,8,9,10)
InChIKeyLRTHXVPMMZVSMG-UHFFFAOYSA-N
XLogP0.96
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.96
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 1,2-bis(prop-1-en-2-yl)guanidine?
The IUPAC name of 1,2-bis(prop-1-en-2-yl)guanidine (CID 142632288) is 1,2-bis(prop-1-en-2-yl)guanidine.
What is the SMILES notation for 1,2-bis(prop-1-en-2-yl)guanidine?
The canonical SMILES for 1,2-bis(prop-1-en-2-yl)guanidine is C=C(C)/N=C(\N)NC(=C)C.
What is the InChIKey of 1,2-bis(prop-1-en-2-yl)guanidine?
The InChIKey is LRTHXVPMMZVSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-5(2)9-7(8)10-6(3)4/h1,3H2,2,4H3,(H3,8,9,10).
What are the key properties of 1,2-bis(prop-1-en-2-yl)guanidine?
1,2-bis(prop-1-en-2-yl)guanidine has a molecular weight of 139.20 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(prop-1-en-2-yl)guanidine is sourced from PubChem (CID 142632288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).