1,1,2,3-tetra(propan-2-yl)guanidine

C13H29N3 — CID 12848653

IUPAC1,1,2,3-tetra(propan-2-yl)guanidine
SMILESCC(C)/N=C(\NC(C)C)N(C(C)C)C(C)C
InChIInChI=1S/C13H29N3/c1-9(2)14-13(15-10(3)4)16(11(5)6)12(7)8/h9-12H,1-8H3,(H,14,15)
InChIKeyVGVRSKXHDYRWHE-UHFFFAOYSA-N
MW227.40 g/mol
LogP2.87
Rot. Bonds4

About 1,1,2,3-tetra(propan-2-yl)guanidine

1,1,2,3-tetra(propan-2-yl)guanidine (PubChem CID 12848653) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 1,1,2,3-tetra(propan-2-yl)guanidine.

Molecular Properties

Compound Name1,1,2,3-tetra(propan-2-yl)guanidine
PubChem CID12848653
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name1,1,2,3-tetra(propan-2-yl)guanidine
SMILESCC(C)/N=C(\NC(C)C)N(C(C)C)C(C)C
InChIInChI=1S/C13H29N3/c1-9(2)14-13(15-10(3)4)16(11(5)6)12(7)8/h9-12H,1-8H3,(H,14,15)
InChIKeyVGVRSKXHDYRWHE-UHFFFAOYSA-N
XLogP2.87
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 52.87
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 1,1,2,3-tetra(propan-2-yl)guanidine?
The IUPAC name of 1,1,2,3-tetra(propan-2-yl)guanidine (CID 12848653) is 1,1,2,3-tetra(propan-2-yl)guanidine.
What is the SMILES notation for 1,1,2,3-tetra(propan-2-yl)guanidine?
The canonical SMILES for 1,1,2,3-tetra(propan-2-yl)guanidine is CC(C)/N=C(\NC(C)C)N(C(C)C)C(C)C.
What is the InChIKey of 1,1,2,3-tetra(propan-2-yl)guanidine?
The InChIKey is VGVRSKXHDYRWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-9(2)14-13(15-10(3)4)16(11(5)6)12(7)8/h9-12H,1-8H3,(H,14,15).
What are the key properties of 1,1,2,3-tetra(propan-2-yl)guanidine?
1,1,2,3-tetra(propan-2-yl)guanidine has a molecular weight of 227.40 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3-tetra(propan-2-yl)guanidine is sourced from PubChem (CID 12848653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).