1,2-dimethyl-1-pentan-3-ylguanidine

C8H19N3 — CID 62360799

IUPAC1,2-dimethyl-1-pentan-3-ylguanidine
SMILESCCC(CC)N(C)/C(N)=N/C
InChIInChI=1S/C8H19N3/c1-5-7(6-2)11(4)8(9)10-3/h7H,5-6H2,1-4H3,(H2,9,10)
InChIKeyLELXFUHPWSAOAO-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.05
Rot. Bonds3

About 1,2-dimethyl-1-pentan-3-ylguanidine

1,2-dimethyl-1-pentan-3-ylguanidine (PubChem CID 62360799) has the molecular formula C8H19N3 and a molecular weight of 157.26 g/mol. Its IUPAC name is 1,2-dimethyl-1-pentan-3-ylguanidine.

Molecular Properties

Compound Name1,2-dimethyl-1-pentan-3-ylguanidine
PubChem CID62360799
Molecular FormulaC8H19N3
Molecular Weight157.26 g/mol
Exact Mass157.16
IUPAC Name1,2-dimethyl-1-pentan-3-ylguanidine
SMILESCCC(CC)N(C)/C(N)=N/C
InChIInChI=1S/C8H19N3/c1-5-7(6-2)11(4)8(9)10-3/h7H,5-6H2,1-4H3,(H2,9,10)
InChIKeyLELXFUHPWSAOAO-UHFFFAOYSA-N
XLogP1.05
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.05
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-dimethyl-1-pentan-3-ylguanidine?
The IUPAC name of 1,2-dimethyl-1-pentan-3-ylguanidine (CID 62360799) is 1,2-dimethyl-1-pentan-3-ylguanidine.
What is the SMILES notation for 1,2-dimethyl-1-pentan-3-ylguanidine?
The canonical SMILES for 1,2-dimethyl-1-pentan-3-ylguanidine is CCC(CC)N(C)/C(N)=N/C.
What is the InChIKey of 1,2-dimethyl-1-pentan-3-ylguanidine?
The InChIKey is LELXFUHPWSAOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3/c1-5-7(6-2)11(4)8(9)10-3/h7H,5-6H2,1-4H3,(H2,9,10).
What are the key properties of 1,2-dimethyl-1-pentan-3-ylguanidine?
1,2-dimethyl-1-pentan-3-ylguanidine has a molecular weight of 157.26 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-1-pentan-3-ylguanidine is sourced from PubChem (CID 62360799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).