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

C8H20ClN5 — CID 72941549

IUPAC2-propan-2-yl-1-(N'-propan-2-ylcarbamimidoyl)guanidine;hydrochloride
SMILESCC(C)/N=C(\N)N/C(N)=N/C(C)C.Cl
InChIInChI=1S/C8H19N5.ClH/c1-5(2)11-7(9)13-8(10)12-6(3)4;/h5-6H,1-4H3,(H5,9,10,11,12,13);1H
InChIKeyBKFUVMLPDXIDPQ-UHFFFAOYSA-N
MW221.74 g/mol
LogP0.44
Rot. Bonds2

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

2-propan-2-yl-1-(N'-propan-2-ylcarbamimidoyl)guanidine;hydrochloride (PubChem CID 72941549) has the molecular formula C8H20ClN5 and a molecular weight of 221.74 g/mol. Its IUPAC name is 2-propan-2-yl-1-(N'-propan-2-ylcarbamimidoyl)guanidine;hydrochloride.

Molecular Properties

Compound Name2-propan-2-yl-1-(N'-propan-2-ylcarbamimidoyl)guanidine;hydrochloride
PubChem CID72941549
Molecular FormulaC8H20ClN5
Molecular Weight221.74 g/mol
Exact Mass221.14
IUPAC Name2-propan-2-yl-1-(N'-propan-2-ylcarbamimidoyl)guanidine;hydrochloride
SMILESCC(C)/N=C(\N)N/C(N)=N/C(C)C.Cl
InChIInChI=1S/C8H19N5.ClH/c1-5(2)11-7(9)13-8(10)12-6(3)4;/h5-6H,1-4H3,(H5,9,10,11,12,13);1H
InChIKeyBKFUVMLPDXIDPQ-UHFFFAOYSA-N
XLogP0.44
TPSA88.79 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.74
LogP ≤ 50.44
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;hydrochloride?
The IUPAC name of 2-propan-2-yl-1-(N'-propan-2-ylcarbamimidoyl)guanidine;hydrochloride (CID 72941549) is 2-propan-2-yl-1-(N'-propan-2-ylcarbamimidoyl)guanidine;hydrochloride.
What is the SMILES notation for 2-propan-2-yl-1-(N'-propan-2-ylcarbamimidoyl)guanidine;hydrochloride?
The canonical SMILES for 2-propan-2-yl-1-(N'-propan-2-ylcarbamimidoyl)guanidine;hydrochloride is CC(C)/N=C(\N)N/C(N)=N/C(C)C.Cl.
What is the InChIKey of 2-propan-2-yl-1-(N'-propan-2-ylcarbamimidoyl)guanidine;hydrochloride?
The InChIKey is BKFUVMLPDXIDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N5.ClH/c1-5(2)11-7(9)13-8(10)12-6(3)4;/h5-6H,1-4H3,(H5,9,10,11,12,13);1H.
What are the key properties of 2-propan-2-yl-1-(N'-propan-2-ylcarbamimidoyl)guanidine;hydrochloride?
2-propan-2-yl-1-(N'-propan-2-ylcarbamimidoyl)guanidine;hydrochloride has a molecular weight of 221.74 g/mol, XLogP of 0.44, 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;hydrochloride is sourced from PubChem (CID 72941549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).