2-propan-2-yl-1-(N'-propan-2-ylcarbamimidoyl)guanidine

C8H19N5 — CID 23437065

IUPAC2-propan-2-yl-1-(N'-propan-2-ylcarbamimidoyl)guanidine
SMILESCC(C)/N=C(\N)N/C(N)=N/C(C)C
InChIInChI=1S/C8H19N5/c1-5(2)11-7(9)13-8(10)12-6(3)4/h5-6H,1-4H3,(H5,9,10,11,12,13)
InChIKeyOWPVXRBXFUWWJQ-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.02
Rot. Bonds2

About 2-propan-2-yl-1-(N'-propan-2-ylcarbamimidoyl)guanidine

2-propan-2-yl-1-(N'-propan-2-ylcarbamimidoyl)guanidine (PubChem CID 23437065) has the molecular formula C8H19N5 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-propan-2-yl-1-(N'-propan-2-ylcarbamimidoyl)guanidine.

Molecular Properties

Compound Name2-propan-2-yl-1-(N'-propan-2-ylcarbamimidoyl)guanidine
PubChem CID23437065
Molecular FormulaC8H19N5
Molecular Weight185.27 g/mol
Exact Mass185.16
IUPAC Name2-propan-2-yl-1-(N'-propan-2-ylcarbamimidoyl)guanidine
SMILESCC(C)/N=C(\N)N/C(N)=N/C(C)C
InChIInChI=1S/C8H19N5/c1-5(2)11-7(9)13-8(10)12-6(3)4/h5-6H,1-4H3,(H5,9,10,11,12,13)
InChIKeyOWPVXRBXFUWWJQ-UHFFFAOYSA-N
XLogP0.02
TPSA88.79 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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 2-propan-2-yl-1-(N'-propan-2-ylcarbamimidoyl)guanidine?
The IUPAC name of 2-propan-2-yl-1-(N'-propan-2-ylcarbamimidoyl)guanidine (CID 23437065) is 2-propan-2-yl-1-(N'-propan-2-ylcarbamimidoyl)guanidine.
What is the SMILES notation for 2-propan-2-yl-1-(N'-propan-2-ylcarbamimidoyl)guanidine?
The canonical SMILES for 2-propan-2-yl-1-(N'-propan-2-ylcarbamimidoyl)guanidine is CC(C)/N=C(\N)N/C(N)=N/C(C)C.
What is the InChIKey of 2-propan-2-yl-1-(N'-propan-2-ylcarbamimidoyl)guanidine?
The InChIKey is OWPVXRBXFUWWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N5/c1-5(2)11-7(9)13-8(10)12-6(3)4/h5-6H,1-4H3,(H5,9,10,11,12,13).
What are the key properties of 2-propan-2-yl-1-(N'-propan-2-ylcarbamimidoyl)guanidine?
2-propan-2-yl-1-(N'-propan-2-ylcarbamimidoyl)guanidine has a molecular weight of 185.27 g/mol, XLogP of 0.02, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1-(N'-propan-2-ylcarbamimidoyl)guanidine is sourced from PubChem (CID 23437065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).