2-(2-methylpropyl)-1-prop-2-enylguanidine

C8H17N3 — CID 62361986

IUPAC2-(2-methylpropyl)-1-prop-2-enylguanidine
SMILESC=CCN/C(N)=N/CC(C)C
InChIInChI=1S/C8H17N3/c1-4-5-10-8(9)11-6-7(2)3/h4,7H,1,5-6H2,2-3H3,(H3,9,10,11)
InChIKeyNOHVRUGMYMQZPY-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.73
Rot. Bonds4

About 2-(2-methylpropyl)-1-prop-2-enylguanidine

2-(2-methylpropyl)-1-prop-2-enylguanidine (PubChem CID 62361986) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-(2-methylpropyl)-1-prop-2-enylguanidine.

Molecular Properties

Compound Name2-(2-methylpropyl)-1-prop-2-enylguanidine
PubChem CID62361986
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC Name2-(2-methylpropyl)-1-prop-2-enylguanidine
SMILESC=CCN/C(N)=N/CC(C)C
InChIInChI=1S/C8H17N3/c1-4-5-10-8(9)11-6-7(2)3/h4,7H,1,5-6H2,2-3H3,(H3,9,10,11)
InChIKeyNOHVRUGMYMQZPY-UHFFFAOYSA-N
XLogP0.73
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.73
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-1-prop-2-enylguanidine?
The IUPAC name of 2-(2-methylpropyl)-1-prop-2-enylguanidine (CID 62361986) is 2-(2-methylpropyl)-1-prop-2-enylguanidine.
What is the SMILES notation for 2-(2-methylpropyl)-1-prop-2-enylguanidine?
The canonical SMILES for 2-(2-methylpropyl)-1-prop-2-enylguanidine is C=CCN/C(N)=N/CC(C)C.
What is the InChIKey of 2-(2-methylpropyl)-1-prop-2-enylguanidine?
The InChIKey is NOHVRUGMYMQZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-4-5-10-8(9)11-6-7(2)3/h4,7H,1,5-6H2,2-3H3,(H3,9,10,11).
What are the key properties of 2-(2-methylpropyl)-1-prop-2-enylguanidine?
2-(2-methylpropyl)-1-prop-2-enylguanidine has a molecular weight of 155.24 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-1-prop-2-enylguanidine is sourced from PubChem (CID 62361986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).