2-(3,3-dimethylbutyl)-1-methylidene-3-[(Z)-prop-1-enyl]guanidine

C11H21N3 — CID 137429327

IUPAC2-(3,3-dimethylbutyl)-1-methylidene-3-[(Z)-prop-1-enyl]guanidine
SMILESC=N/C(=N\CCC(C)(C)C)N/C=C\C
InChIInChI=1S/C11H21N3/c1-6-8-13-10(12-5)14-9-7-11(2,3)4/h6,8H,5,7,9H2,1-4H3,(H,13,14)/b8-6-
InChIKeyQAQZBOGOAUQTQK-VURMDHGXSA-N
MW195.31 g/mol
LogP2.60
Rot. Bonds3

About 2-(3,3-dimethylbutyl)-1-methylidene-3-[(Z)-prop-1-enyl]guanidine

2-(3,3-dimethylbutyl)-1-methylidene-3-[(Z)-prop-1-enyl]guanidine (PubChem CID 137429327) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-(3,3-dimethylbutyl)-1-methylidene-3-[(Z)-prop-1-enyl]guanidine.

Molecular Properties

Compound Name2-(3,3-dimethylbutyl)-1-methylidene-3-[(Z)-prop-1-enyl]guanidine
PubChem CID137429327
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name2-(3,3-dimethylbutyl)-1-methylidene-3-[(Z)-prop-1-enyl]guanidine
SMILESC=N/C(=N\CCC(C)(C)C)N/C=C\C
InChIInChI=1S/C11H21N3/c1-6-8-13-10(12-5)14-9-7-11(2,3)4/h6,8H,5,7,9H2,1-4H3,(H,13,14)/b8-6-
InChIKeyQAQZBOGOAUQTQK-VURMDHGXSA-N
XLogP2.60
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.60
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 2-(3,3-dimethylbutyl)-1-methylidene-3-[(Z)-prop-1-enyl]guanidine?
The IUPAC name of 2-(3,3-dimethylbutyl)-1-methylidene-3-[(Z)-prop-1-enyl]guanidine (CID 137429327) is 2-(3,3-dimethylbutyl)-1-methylidene-3-[(Z)-prop-1-enyl]guanidine.
What is the SMILES notation for 2-(3,3-dimethylbutyl)-1-methylidene-3-[(Z)-prop-1-enyl]guanidine?
The canonical SMILES for 2-(3,3-dimethylbutyl)-1-methylidene-3-[(Z)-prop-1-enyl]guanidine is C=N/C(=N\CCC(C)(C)C)N/C=C\C.
What is the InChIKey of 2-(3,3-dimethylbutyl)-1-methylidene-3-[(Z)-prop-1-enyl]guanidine?
The InChIKey is QAQZBOGOAUQTQK-VURMDHGXSA-N. The full InChI is InChI=1S/C11H21N3/c1-6-8-13-10(12-5)14-9-7-11(2,3)4/h6,8H,5,7,9H2,1-4H3,(H,13,14)/b8-6-.
What are the key properties of 2-(3,3-dimethylbutyl)-1-methylidene-3-[(Z)-prop-1-enyl]guanidine?
2-(3,3-dimethylbutyl)-1-methylidene-3-[(Z)-prop-1-enyl]guanidine has a molecular weight of 195.31 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutyl)-1-methylidene-3-[(Z)-prop-1-enyl]guanidine is sourced from PubChem (CID 137429327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).