1-(3,3-dimethylbutyl)-1,2,3-trimethylguanidine

C10H23N3 — CID 20755638

IUPAC1-(3,3-dimethylbutyl)-1,2,3-trimethylguanidine
SMILESC/N=C(\NC)N(C)CCC(C)(C)C
InChIInChI=1S/C10H23N3/c1-10(2,3)7-8-13(6)9(11-4)12-5/h7-8H2,1-6H3,(H,11,12)
InChIKeyDXHNZYYZLBISMZ-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.56
Rot. Bonds2

About 1-(3,3-dimethylbutyl)-1,2,3-trimethylguanidine

1-(3,3-dimethylbutyl)-1,2,3-trimethylguanidine (PubChem CID 20755638) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)-1,2,3-trimethylguanidine.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)-1,2,3-trimethylguanidine
PubChem CID20755638
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Name1-(3,3-dimethylbutyl)-1,2,3-trimethylguanidine
SMILESC/N=C(\NC)N(C)CCC(C)(C)C
InChIInChI=1S/C10H23N3/c1-10(2,3)7-8-13(6)9(11-4)12-5/h7-8H2,1-6H3,(H,11,12)
InChIKeyDXHNZYYZLBISMZ-UHFFFAOYSA-N
XLogP1.56
TPSA27.63 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 ≤ 51.56
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-(3,3-dimethylbutyl)-1,2,3-trimethylguanidine?
The IUPAC name of 1-(3,3-dimethylbutyl)-1,2,3-trimethylguanidine (CID 20755638) is 1-(3,3-dimethylbutyl)-1,2,3-trimethylguanidine.
What is the SMILES notation for 1-(3,3-dimethylbutyl)-1,2,3-trimethylguanidine?
The canonical SMILES for 1-(3,3-dimethylbutyl)-1,2,3-trimethylguanidine is C/N=C(\NC)N(C)CCC(C)(C)C.
What is the InChIKey of 1-(3,3-dimethylbutyl)-1,2,3-trimethylguanidine?
The InChIKey is DXHNZYYZLBISMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-10(2,3)7-8-13(6)9(11-4)12-5/h7-8H2,1-6H3,(H,11,12).
What are the key properties of 1-(3,3-dimethylbutyl)-1,2,3-trimethylguanidine?
1-(3,3-dimethylbutyl)-1,2,3-trimethylguanidine has a molecular weight of 185.31 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutyl)-1,2,3-trimethylguanidine is sourced from PubChem (CID 20755638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).