1-propan-2-ylidene-2-prop-1-en-2-ylguanidine

C7H13N3 — CID 90064742

IUPAC1-propan-2-ylidene-2-prop-1-en-2-ylguanidine
SMILESC=C(C)/N=C(\N)N=C(C)C
InChIInChI=1S/C7H13N3/c1-5(2)9-7(8)10-6(3)4/h1H2,2-4H3,(H2,8,9)
InChIKeyVLLRGXIKAHIBFZ-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.32
Rot. Bonds1

About 1-propan-2-ylidene-2-prop-1-en-2-ylguanidine

1-propan-2-ylidene-2-prop-1-en-2-ylguanidine (PubChem CID 90064742) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-propan-2-ylidene-2-prop-1-en-2-ylguanidine.

Molecular Properties

Compound Name1-propan-2-ylidene-2-prop-1-en-2-ylguanidine
PubChem CID90064742
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name1-propan-2-ylidene-2-prop-1-en-2-ylguanidine
SMILESC=C(C)/N=C(\N)N=C(C)C
InChIInChI=1S/C7H13N3/c1-5(2)9-7(8)10-6(3)4/h1H2,2-4H3,(H2,8,9)
InChIKeyVLLRGXIKAHIBFZ-UHFFFAOYSA-N
XLogP1.32
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.32
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-propan-2-ylidene-2-prop-1-en-2-ylguanidine?
The IUPAC name of 1-propan-2-ylidene-2-prop-1-en-2-ylguanidine (CID 90064742) is 1-propan-2-ylidene-2-prop-1-en-2-ylguanidine.
What is the SMILES notation for 1-propan-2-ylidene-2-prop-1-en-2-ylguanidine?
The canonical SMILES for 1-propan-2-ylidene-2-prop-1-en-2-ylguanidine is C=C(C)/N=C(\N)N=C(C)C.
What is the InChIKey of 1-propan-2-ylidene-2-prop-1-en-2-ylguanidine?
The InChIKey is VLLRGXIKAHIBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-5(2)9-7(8)10-6(3)4/h1H2,2-4H3,(H2,8,9).
What are the key properties of 1-propan-2-ylidene-2-prop-1-en-2-ylguanidine?
1-propan-2-ylidene-2-prop-1-en-2-ylguanidine has a molecular weight of 139.20 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylidene-2-prop-1-en-2-ylguanidine is sourced from PubChem (CID 90064742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).