1-(2,2-dimethylpropyl)-1-methyl-2-propan-2-ylguanidine

C10H23N3 — CID 62363467

IUPAC1-(2,2-dimethylpropyl)-1-methyl-2-propan-2-ylguanidine
SMILESCC(C)/N=C(\N)N(C)CC(C)(C)C
InChIInChI=1S/C10H23N3/c1-8(2)12-9(11)13(6)7-10(3,4)5/h8H,7H2,1-6H3,(H2,11,12)
InChIKeyZQEHMGFYPARBEJ-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.69
Rot. Bonds2

About 1-(2,2-dimethylpropyl)-1-methyl-2-propan-2-ylguanidine

1-(2,2-dimethylpropyl)-1-methyl-2-propan-2-ylguanidine (PubChem CID 62363467) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-1-methyl-2-propan-2-ylguanidine.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-1-methyl-2-propan-2-ylguanidine
PubChem CID62363467
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Name1-(2,2-dimethylpropyl)-1-methyl-2-propan-2-ylguanidine
SMILESCC(C)/N=C(\N)N(C)CC(C)(C)C
InChIInChI=1S/C10H23N3/c1-8(2)12-9(11)13(6)7-10(3,4)5/h8H,7H2,1-6H3,(H2,11,12)
InChIKeyZQEHMGFYPARBEJ-UHFFFAOYSA-N
XLogP1.69
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.69
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-(2,2-dimethylpropyl)-1-methyl-2-propan-2-ylguanidine?
The IUPAC name of 1-(2,2-dimethylpropyl)-1-methyl-2-propan-2-ylguanidine (CID 62363467) is 1-(2,2-dimethylpropyl)-1-methyl-2-propan-2-ylguanidine.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-1-methyl-2-propan-2-ylguanidine?
The canonical SMILES for 1-(2,2-dimethylpropyl)-1-methyl-2-propan-2-ylguanidine is CC(C)/N=C(\N)N(C)CC(C)(C)C.
What is the InChIKey of 1-(2,2-dimethylpropyl)-1-methyl-2-propan-2-ylguanidine?
The InChIKey is ZQEHMGFYPARBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-8(2)12-9(11)13(6)7-10(3,4)5/h8H,7H2,1-6H3,(H2,11,12).
What are the key properties of 1-(2,2-dimethylpropyl)-1-methyl-2-propan-2-ylguanidine?
1-(2,2-dimethylpropyl)-1-methyl-2-propan-2-ylguanidine has a molecular weight of 185.31 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-1-methyl-2-propan-2-ylguanidine is sourced from PubChem (CID 62363467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).