1,2-dimethyl-1,3-di(propan-2-yl)-3-[(Z)-prop-1-enyl]guanidine

C12H25N3 — CID 166684553

IUPAC1,2-dimethyl-1,3-di(propan-2-yl)-3-[(Z)-prop-1-enyl]guanidine
SMILESC/C=C\N(/C(=N/C)N(C)C(C)C)C(C)C
InChIInChI=1S/C12H25N3/c1-8-9-15(11(4)5)12(13-6)14(7)10(2)3/h8-11H,1-7H3/b9-8-,13-12+
InChIKeyUDAXTEYANXWTKN-YILALFFRSA-N
MW211.35 g/mol
LogP2.56
Rot. Bonds3

About 1,2-dimethyl-1,3-di(propan-2-yl)-3-[(Z)-prop-1-enyl]guanidine

1,2-dimethyl-1,3-di(propan-2-yl)-3-[(Z)-prop-1-enyl]guanidine (PubChem CID 166684553) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 1,2-dimethyl-1,3-di(propan-2-yl)-3-[(Z)-prop-1-enyl]guanidine.

Molecular Properties

Compound Name1,2-dimethyl-1,3-di(propan-2-yl)-3-[(Z)-prop-1-enyl]guanidine
PubChem CID166684553
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name1,2-dimethyl-1,3-di(propan-2-yl)-3-[(Z)-prop-1-enyl]guanidine
SMILESC/C=C\N(/C(=N/C)N(C)C(C)C)C(C)C
InChIInChI=1S/C12H25N3/c1-8-9-15(11(4)5)12(13-6)14(7)10(2)3/h8-11H,1-7H3/b9-8-,13-12+
InChIKeyUDAXTEYANXWTKN-YILALFFRSA-N
XLogP2.56
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.56
H-Bond Donors ≤ 50
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-dimethyl-1,3-di(propan-2-yl)-3-[(Z)-prop-1-enyl]guanidine?
The IUPAC name of 1,2-dimethyl-1,3-di(propan-2-yl)-3-[(Z)-prop-1-enyl]guanidine (CID 166684553) is 1,2-dimethyl-1,3-di(propan-2-yl)-3-[(Z)-prop-1-enyl]guanidine.
What is the SMILES notation for 1,2-dimethyl-1,3-di(propan-2-yl)-3-[(Z)-prop-1-enyl]guanidine?
The canonical SMILES for 1,2-dimethyl-1,3-di(propan-2-yl)-3-[(Z)-prop-1-enyl]guanidine is C/C=C\N(/C(=N/C)N(C)C(C)C)C(C)C.
What is the InChIKey of 1,2-dimethyl-1,3-di(propan-2-yl)-3-[(Z)-prop-1-enyl]guanidine?
The InChIKey is UDAXTEYANXWTKN-YILALFFRSA-N. The full InChI is InChI=1S/C12H25N3/c1-8-9-15(11(4)5)12(13-6)14(7)10(2)3/h8-11H,1-7H3/b9-8-,13-12+.
What are the key properties of 1,2-dimethyl-1,3-di(propan-2-yl)-3-[(Z)-prop-1-enyl]guanidine?
1,2-dimethyl-1,3-di(propan-2-yl)-3-[(Z)-prop-1-enyl]guanidine has a molecular weight of 211.35 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-1,3-di(propan-2-yl)-3-[(Z)-prop-1-enyl]guanidine is sourced from PubChem (CID 166684553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).