2-(1-phenylpropan-2-yl)guanidine;hydrochloride

C10H16ClN3 — CID 53423067

IUPAC2-(1-phenylpropan-2-yl)guanidine;hydrochloride
SMILESCC(Cc1ccccc1)N=C(N)N.Cl
InChIInChI=1S/C10H15N3.ClH/c1-8(13-10(11)12)7-9-5-3-2-4-6-9;/h2-6,8H,7H2,1H3,(H4,11,12,13);1H
InChIKeyBGMRZHNIRLUFMD-UHFFFAOYSA-N
MW213.71 g/mol
LogP1.31
Rot. Bonds3

About 2-(1-phenylpropan-2-yl)guanidine;hydrochloride

2-(1-phenylpropan-2-yl)guanidine;hydrochloride (PubChem CID 53423067) has the molecular formula C10H16ClN3 and a molecular weight of 213.71 g/mol. Its IUPAC name is 2-(1-phenylpropan-2-yl)guanidine;hydrochloride.

Molecular Properties

Compound Name2-(1-phenylpropan-2-yl)guanidine;hydrochloride
PubChem CID53423067
Molecular FormulaC10H16ClN3
Molecular Weight213.71 g/mol
Exact Mass213.10
IUPAC Name2-(1-phenylpropan-2-yl)guanidine;hydrochloride
SMILESCC(Cc1ccccc1)N=C(N)N.Cl
InChIInChI=1S/C10H15N3.ClH/c1-8(13-10(11)12)7-9-5-3-2-4-6-9;/h2-6,8H,7H2,1H3,(H4,11,12,13);1H
InChIKeyBGMRZHNIRLUFMD-UHFFFAOYSA-N
XLogP1.31
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 51.31
H-Bond Donors ≤ 52
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 2-(1-phenylpropan-2-yl)guanidine;hydrochloride?
The IUPAC name of 2-(1-phenylpropan-2-yl)guanidine;hydrochloride (CID 53423067) is 2-(1-phenylpropan-2-yl)guanidine;hydrochloride.
What is the SMILES notation for 2-(1-phenylpropan-2-yl)guanidine;hydrochloride?
The canonical SMILES for 2-(1-phenylpropan-2-yl)guanidine;hydrochloride is CC(Cc1ccccc1)N=C(N)N.Cl.
What is the InChIKey of 2-(1-phenylpropan-2-yl)guanidine;hydrochloride?
The InChIKey is BGMRZHNIRLUFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3.ClH/c1-8(13-10(11)12)7-9-5-3-2-4-6-9;/h2-6,8H,7H2,1H3,(H4,11,12,13);1H.
What are the key properties of 2-(1-phenylpropan-2-yl)guanidine;hydrochloride?
2-(1-phenylpropan-2-yl)guanidine;hydrochloride has a molecular weight of 213.71 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylpropan-2-yl)guanidine;hydrochloride is sourced from PubChem (CID 53423067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).