1-butan-2-yl-2-tert-butyl-1-methylguanidine

C10H23N3 — CID 62359370

IUPAC1-butan-2-yl-2-tert-butyl-1-methylguanidine
SMILESCCC(C)N(C)/C(N)=N/C(C)(C)C
InChIInChI=1S/C10H23N3/c1-7-8(2)13(6)9(11)12-10(3,4)5/h8H,7H2,1-6H3,(H2,11,12)
InChIKeyDVXBPSKMXYJOPE-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.83
Rot. Bonds2

About 1-butan-2-yl-2-tert-butyl-1-methylguanidine

1-butan-2-yl-2-tert-butyl-1-methylguanidine (PubChem CID 62359370) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-butan-2-yl-2-tert-butyl-1-methylguanidine.

Molecular Properties

Compound Name1-butan-2-yl-2-tert-butyl-1-methylguanidine
PubChem CID62359370
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Name1-butan-2-yl-2-tert-butyl-1-methylguanidine
SMILESCCC(C)N(C)/C(N)=N/C(C)(C)C
InChIInChI=1S/C10H23N3/c1-7-8(2)13(6)9(11)12-10(3,4)5/h8H,7H2,1-6H3,(H2,11,12)
InChIKeyDVXBPSKMXYJOPE-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
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-butan-2-yl-2-tert-butyl-1-methylguanidine?
The IUPAC name of 1-butan-2-yl-2-tert-butyl-1-methylguanidine (CID 62359370) is 1-butan-2-yl-2-tert-butyl-1-methylguanidine.
What is the SMILES notation for 1-butan-2-yl-2-tert-butyl-1-methylguanidine?
The canonical SMILES for 1-butan-2-yl-2-tert-butyl-1-methylguanidine is CCC(C)N(C)/C(N)=N/C(C)(C)C.
What is the InChIKey of 1-butan-2-yl-2-tert-butyl-1-methylguanidine?
The InChIKey is DVXBPSKMXYJOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-7-8(2)13(6)9(11)12-10(3,4)5/h8H,7H2,1-6H3,(H2,11,12).
What are the key properties of 1-butan-2-yl-2-tert-butyl-1-methylguanidine?
1-butan-2-yl-2-tert-butyl-1-methylguanidine has a molecular weight of 185.31 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-tert-butyl-1-methylguanidine is sourced from PubChem (CID 62359370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).