1-propan-2-yl-2-(2-pyridin-3-ylethyl)guanidine;hydroiodide

C11H19IN4 — CID 110912189

IUPAC1-propan-2-yl-2-(2-pyridin-3-ylethyl)guanidine;hydroiodide
SMILESCC(C)N/C(N)=N/CCc1cccnc1.I
InChIInChI=1S/C11H18N4.HI/c1-9(2)15-11(12)14-7-5-10-4-3-6-13-8-10;/h3-4,6,8-9H,5,7H2,1-2H3,(H3,12,14,15);1H
InChIKeyXVCNKNQQUYCPEY-UHFFFAOYSA-N
MW334.21 g/mol
LogP1.55
Rot. Bonds4

About 1-propan-2-yl-2-(2-pyridin-3-ylethyl)guanidine;hydroiodide

1-propan-2-yl-2-(2-pyridin-3-ylethyl)guanidine;hydroiodide (PubChem CID 110912189) has the molecular formula C11H19IN4 and a molecular weight of 334.21 g/mol. Its IUPAC name is 1-propan-2-yl-2-(2-pyridin-3-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-propan-2-yl-2-(2-pyridin-3-ylethyl)guanidine;hydroiodide
PubChem CID110912189
Molecular FormulaC11H19IN4
Molecular Weight334.21 g/mol
Exact Mass334.07
IUPAC Name1-propan-2-yl-2-(2-pyridin-3-ylethyl)guanidine;hydroiodide
SMILESCC(C)N/C(N)=N/CCc1cccnc1.I
InChIInChI=1S/C11H18N4.HI/c1-9(2)15-11(12)14-7-5-10-4-3-6-13-8-10;/h3-4,6,8-9H,5,7H2,1-2H3,(H3,12,14,15);1H
InChIKeyXVCNKNQQUYCPEY-UHFFFAOYSA-N
XLogP1.55
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxyphenyl)-2-(2-pyridin-3-ylethyl)guanidine;hydroiodide
CID 111043095
2-[2-(4-fluorophenyl)ethyl]-1-propan-2-ylguanidine;hydroiodide
CID 110912022
2-(2-methylpropyl)-1-(2-pyridin-3-ylethyl)guanidine
CID 62363089
1-propan-2-yl-2-(1-pyridin-3-ylethyl)guanidine
CID 62362194
1-(2-methylpropyl)-2-(pyridin-3-ylmethyl)guanidine
CID 62361961
1-(3-methylbutyl)-2-(pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111023317
2-[(3-methyl-4-pyridinyl)methyl]-1-propan-2-ylguanidine
CID 114700720
methyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate
CID 62690739
N'-(pyridin-3-ylmethyl)propanimidamide
CID 63178456
N-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]pyrazine-2-carboxamide;hydroiodide
CID 119121124
2-methyl-1-(5-methylhexan-2-yl)-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide
CID 111204101
4-pyridin-3-ylbutan-2-ylcarbamic acid
CID 146273639

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-2-(2-pyridin-3-ylethyl)guanidine;hydroiodide?
The IUPAC name of 1-propan-2-yl-2-(2-pyridin-3-ylethyl)guanidine;hydroiodide (CID 110912189) is 1-propan-2-yl-2-(2-pyridin-3-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-propan-2-yl-2-(2-pyridin-3-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-propan-2-yl-2-(2-pyridin-3-ylethyl)guanidine;hydroiodide is CC(C)N/C(N)=N/CCc1cccnc1.I.
What is the InChIKey of 1-propan-2-yl-2-(2-pyridin-3-ylethyl)guanidine;hydroiodide?
The InChIKey is XVCNKNQQUYCPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4.HI/c1-9(2)15-11(12)14-7-5-10-4-3-6-13-8-10;/h3-4,6,8-9H,5,7H2,1-2H3,(H3,12,14,15);1H.
What are the key properties of 1-propan-2-yl-2-(2-pyridin-3-ylethyl)guanidine;hydroiodide?
1-propan-2-yl-2-(2-pyridin-3-ylethyl)guanidine;hydroiodide has a molecular weight of 334.21 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-2-(2-pyridin-3-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 110912189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).