1-tert-butyl-2-[(6-cyclopentyloxy-3-pyridinyl)methyl]guanidine;hydroiodide

C16H27IN4O — CID 111050019

IUPAC1-tert-butyl-2-[(6-cyclopentyloxy-3-pyridinyl)methyl]guanidine;hydroiodide
SMILESCC(C)(C)N/C(N)=N/Cc1ccc(OC2CCCC2)nc1.I
InChIInChI=1S/C16H26N4O.HI/c1-16(2,3)20-15(17)19-11-12-8-9-14(18-10-12)21-13-6-4-5-7-13;/h8-10,13H,4-7,11H2,1-3H3,(H3,17,19,20);1H
InChIKeyHBKDZASSYSHKBY-UHFFFAOYSA-N
MW418.32 g/mol
LogP3.22
Rot. Bonds4

About 1-tert-butyl-2-[(6-cyclopentyloxy-3-pyridinyl)methyl]guanidine;hydroiodide

1-tert-butyl-2-[(6-cyclopentyloxy-3-pyridinyl)methyl]guanidine;hydroiodide (PubChem CID 111050019) has the molecular formula C16H27IN4O and a molecular weight of 418.32 g/mol. Its IUPAC name is 1-tert-butyl-2-[(6-cyclopentyloxy-3-pyridinyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-tert-butyl-2-[(6-cyclopentyloxy-3-pyridinyl)methyl]guanidine;hydroiodide
PubChem CID111050019
Molecular FormulaC16H27IN4O
Molecular Weight418.32 g/mol
Exact Mass418.12
IUPAC Name1-tert-butyl-2-[(6-cyclopentyloxy-3-pyridinyl)methyl]guanidine;hydroiodide
SMILESCC(C)(C)N/C(N)=N/Cc1ccc(OC2CCCC2)nc1.I
InChIInChI=1S/C16H26N4O.HI/c1-16(2,3)20-15(17)19-11-12-8-9-14(18-10-12)21-13-6-4-5-7-13;/h8-10,13H,4-7,11H2,1-3H3,(H3,17,19,20);1H
InChIKeyHBKDZASSYSHKBY-UHFFFAOYSA-N
XLogP3.22
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.32
LogP ≤ 53.22
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'}

Analyze 1-tert-butyl-2-[(6-cyclopentyloxy-3-pyridinyl)methyl]guanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-tert-butyl-2-[(6-cyclopentyloxy-3-pyridinyl)methyl]guanidine
CID 111050020
1-tert-butyl-2-[(2-cyclopentyloxy-4-pyridinyl)methyl]guanidine
CID 111049934
2-[(6-cyclopentyloxy-3-pyridinyl)methyl]guanidine
CID 110916197
2-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111049997
1-(cyclobutylmethyl)-2-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]guanidine
CID 110004848
2-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-cyclopropyl-3-ethylguanidine
CID 110987722
2-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-tert-butylguanidine
CID 111049192
2-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-ethyl-3-(2-methylpropyl)guanidine
CID 111178474
2-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-ethyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111137082
N-[(6-cycloheptyloxy-3-pyridinyl)methyl]ethanamine
CID 62298054
2-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-ethyl-3-(2-hydroxy-2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 109420257
2-[(6-cyclohexyloxy-3-pyridinyl)methyl]-1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]guanidine;hydroiodide
CID 111671783

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-[(6-cyclopentyloxy-3-pyridinyl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-tert-butyl-2-[(6-cyclopentyloxy-3-pyridinyl)methyl]guanidine;hydroiodide (CID 111050019) is 1-tert-butyl-2-[(6-cyclopentyloxy-3-pyridinyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-tert-butyl-2-[(6-cyclopentyloxy-3-pyridinyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-tert-butyl-2-[(6-cyclopentyloxy-3-pyridinyl)methyl]guanidine;hydroiodide is CC(C)(C)N/C(N)=N/Cc1ccc(OC2CCCC2)nc1.I.
What is the InChIKey of 1-tert-butyl-2-[(6-cyclopentyloxy-3-pyridinyl)methyl]guanidine;hydroiodide?
The InChIKey is HBKDZASSYSHKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O.HI/c1-16(2,3)20-15(17)19-11-12-8-9-14(18-10-12)21-13-6-4-5-7-13;/h8-10,13H,4-7,11H2,1-3H3,(H3,17,19,20);1H.
What are the key properties of 1-tert-butyl-2-[(6-cyclopentyloxy-3-pyridinyl)methyl]guanidine;hydroiodide?
1-tert-butyl-2-[(6-cyclopentyloxy-3-pyridinyl)methyl]guanidine;hydroiodide has a molecular weight of 418.32 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-[(6-cyclopentyloxy-3-pyridinyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 111050019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).