2-[2-[di(propan-2-yl)amino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide

C16H30IN5 — CID 111026298

IUPAC2-[2-[di(propan-2-yl)amino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
SMILESCC(C)N(CC/N=C(\N)NCCc1ccccn1)C(C)C.I
InChIInChI=1S/C16H29N5.HI/c1-13(2)21(14(3)4)12-11-20-16(17)19-10-8-15-7-5-6-9-18-15;/h5-7,9,13-14H,8,10-12H2,1-4H3,(H3,17,19,20);1H
InChIKeyRNNZTGKJRUYPHN-UHFFFAOYSA-N
MW419.36 g/mol
LogP2.27
Rot. Bonds8

About 2-[2-[di(propan-2-yl)amino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide

2-[2-[di(propan-2-yl)amino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide (PubChem CID 111026298) has the molecular formula C16H30IN5 and a molecular weight of 419.36 g/mol. Its IUPAC name is 2-[2-[di(propan-2-yl)amino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-[di(propan-2-yl)amino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
PubChem CID111026298
Molecular FormulaC16H30IN5
Molecular Weight419.36 g/mol
Exact Mass419.15
IUPAC Name2-[2-[di(propan-2-yl)amino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
SMILESCC(C)N(CC/N=C(\N)NCCc1ccccn1)C(C)C.I
InChIInChI=1S/C16H29N5.HI/c1-13(2)21(14(3)4)12-11-20-16(17)19-10-8-15-7-5-6-9-18-15;/h5-7,9,13-14H,8,10-12H2,1-4H3,(H3,17,19,20);1H
InChIKeyRNNZTGKJRUYPHN-UHFFFAOYSA-N
XLogP2.27
TPSA66.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.36
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-[2-[cyclohexyl(methyl)amino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111057297
2-(2-hydroxypropyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111025296
2-octyl-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111024681
2-[3-[ethylsulfonyl(methyl)amino]propyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111066396
2-[3-(dipropylamino)propyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111077449
2-(4,4-dimethylpentyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111637947
1-(2-pyridin-2-ylethyl)-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111800785
2-hexyl-1-(2-pyridin-2-ylethyl)guanidine
CID 111023818
N',N'-di(propan-2-yl)-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 60648012
2-(3-methylsulfanylpropyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111769363
1-(2-pyridin-2-ylethyl)-2-(2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111816863
2-(3-phenoxypropyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111036934

Frequently Asked Questions

What is the IUPAC name of 2-[2-[di(propan-2-yl)amino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The IUPAC name of 2-[2-[di(propan-2-yl)amino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide (CID 111026298) is 2-[2-[di(propan-2-yl)amino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[2-[di(propan-2-yl)amino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 2-[2-[di(propan-2-yl)amino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide is CC(C)N(CC/N=C(\N)NCCc1ccccn1)C(C)C.I.
What is the InChIKey of 2-[2-[di(propan-2-yl)amino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The InChIKey is RNNZTGKJRUYPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5.HI/c1-13(2)21(14(3)4)12-11-20-16(17)19-10-8-15-7-5-6-9-18-15;/h5-7,9,13-14H,8,10-12H2,1-4H3,(H3,17,19,20);1H.
What are the key properties of 2-[2-[di(propan-2-yl)amino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
2-[2-[di(propan-2-yl)amino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide has a molecular weight of 419.36 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[di(propan-2-yl)amino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111026298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).