1-ethyl-1,2,3-tri(propan-2-yl)guanidine

C12H27N3 — CID 118360288

IUPAC1-ethyl-1,2,3-tri(propan-2-yl)guanidine
SMILESCCN(/C(=N\C(C)C)NC(C)C)C(C)C
InChIInChI=1S/C12H27N3/c1-8-15(11(6)7)12(13-9(2)3)14-10(4)5/h9-11H,8H2,1-7H3,(H,13,14)
InChIKeyNOSIZXDPRJVXLX-UHFFFAOYSA-N
MW213.37 g/mol
LogP2.48
Rot. Bonds4

About 1-ethyl-1,2,3-tri(propan-2-yl)guanidine

1-ethyl-1,2,3-tri(propan-2-yl)guanidine (PubChem CID 118360288) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 1-ethyl-1,2,3-tri(propan-2-yl)guanidine.

Molecular Properties

Compound Name1-ethyl-1,2,3-tri(propan-2-yl)guanidine
PubChem CID118360288
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name1-ethyl-1,2,3-tri(propan-2-yl)guanidine
SMILESCCN(/C(=N\C(C)C)NC(C)C)C(C)C
InChIInChI=1S/C12H27N3/c1-8-15(11(6)7)12(13-9(2)3)14-10(4)5/h9-11H,8H2,1-7H3,(H,13,14)
InChIKeyNOSIZXDPRJVXLX-UHFFFAOYSA-N
XLogP2.48
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 52.48
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-ethyl-1,2,3-tri(propan-2-yl)guanidine?
The IUPAC name of 1-ethyl-1,2,3-tri(propan-2-yl)guanidine (CID 118360288) is 1-ethyl-1,2,3-tri(propan-2-yl)guanidine.
What is the SMILES notation for 1-ethyl-1,2,3-tri(propan-2-yl)guanidine?
The canonical SMILES for 1-ethyl-1,2,3-tri(propan-2-yl)guanidine is CCN(/C(=N\C(C)C)NC(C)C)C(C)C.
What is the InChIKey of 1-ethyl-1,2,3-tri(propan-2-yl)guanidine?
The InChIKey is NOSIZXDPRJVXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-8-15(11(6)7)12(13-9(2)3)14-10(4)5/h9-11H,8H2,1-7H3,(H,13,14).
What are the key properties of 1-ethyl-1,2,3-tri(propan-2-yl)guanidine?
1-ethyl-1,2,3-tri(propan-2-yl)guanidine has a molecular weight of 213.37 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1,2,3-tri(propan-2-yl)guanidine is sourced from PubChem (CID 118360288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).