1-(2,2-dimethylpropyl)-1,2-dimethylguanidine

C8H19N3 — CID 62358787

IUPAC1-(2,2-dimethylpropyl)-1,2-dimethylguanidine
SMILESC/N=C(\N)N(C)CC(C)(C)C
InChIInChI=1S/C8H19N3/c1-8(2,3)6-11(5)7(9)10-4/h6H2,1-5H3,(H2,9,10)
InChIKeyPBSNYSIBKTXZON-UHFFFAOYSA-N
MW157.26 g/mol
LogP0.91
Rot. Bonds1

About 1-(2,2-dimethylpropyl)-1,2-dimethylguanidine

1-(2,2-dimethylpropyl)-1,2-dimethylguanidine (PubChem CID 62358787) has the molecular formula C8H19N3 and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-1,2-dimethylguanidine.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-1,2-dimethylguanidine
PubChem CID62358787
Molecular FormulaC8H19N3
Molecular Weight157.26 g/mol
Exact Mass157.16
IUPAC Name1-(2,2-dimethylpropyl)-1,2-dimethylguanidine
SMILESC/N=C(\N)N(C)CC(C)(C)C
InChIInChI=1S/C8H19N3/c1-8(2,3)6-11(5)7(9)10-4/h6H2,1-5H3,(H2,9,10)
InChIKeyPBSNYSIBKTXZON-UHFFFAOYSA-N
XLogP0.91
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 50.91
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)-1,2-dimethylguanidine?
The IUPAC name of 1-(2,2-dimethylpropyl)-1,2-dimethylguanidine (CID 62358787) is 1-(2,2-dimethylpropyl)-1,2-dimethylguanidine.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-1,2-dimethylguanidine?
The canonical SMILES for 1-(2,2-dimethylpropyl)-1,2-dimethylguanidine is C/N=C(\N)N(C)CC(C)(C)C.
What is the InChIKey of 1-(2,2-dimethylpropyl)-1,2-dimethylguanidine?
The InChIKey is PBSNYSIBKTXZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3/c1-8(2,3)6-11(5)7(9)10-4/h6H2,1-5H3,(H2,9,10).
What are the key properties of 1-(2,2-dimethylpropyl)-1,2-dimethylguanidine?
1-(2,2-dimethylpropyl)-1,2-dimethylguanidine has a molecular weight of 157.26 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-1,2-dimethylguanidine is sourced from PubChem (CID 62358787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).