1-cyclohexyl-3-prop-2-enyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide

C16H25IN4 — CID 75532671

IUPAC1-cyclohexyl-3-prop-2-enyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
SMILESC=CCN/C(=N\Cc1ccccn1)NC1CCCCC1.I
InChIInChI=1S/C16H24N4.HI/c1-2-11-18-16(20-14-8-4-3-5-9-14)19-13-15-10-6-7-12-17-15;/h2,6-7,10,12,14H,1,3-5,8-9,11,13H2,(H2,18,19,20);1H
InChIKeyZMDNPUCLMJYDKL-UHFFFAOYSA-N
MW400.31 g/mol
LogP3.25
Rot. Bonds5

About 1-cyclohexyl-3-prop-2-enyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide

1-cyclohexyl-3-prop-2-enyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide (PubChem CID 75532671) has the molecular formula C16H25IN4 and a molecular weight of 400.31 g/mol. Its IUPAC name is 1-cyclohexyl-3-prop-2-enyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclohexyl-3-prop-2-enyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
PubChem CID75532671
Molecular FormulaC16H25IN4
Molecular Weight400.31 g/mol
Exact Mass400.11
IUPAC Name1-cyclohexyl-3-prop-2-enyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
SMILESC=CCN/C(=N\Cc1ccccn1)NC1CCCCC1.I
InChIInChI=1S/C16H24N4.HI/c1-2-11-18-16(20-14-8-4-3-5-9-14)19-13-15-10-6-7-12-17-15;/h2,6-7,10,12,14H,1,3-5,8-9,11,13H2,(H2,18,19,20);1H
InChIKeyZMDNPUCLMJYDKL-UHFFFAOYSA-N
XLogP3.25
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.31
LogP ≤ 53.25
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-cyclopentyl-3-[2-(furan-2-yl)ethyl]-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111494009
1-ethyl-3-(4-methylcyclohexyl)-2-(pyridin-2-ylmethyl)guanidine
CID 111256893
1-cyclohexyl-2-[(4-nitrophenyl)methyl]-3-prop-2-enylguanidine;hydroiodide
CID 110958280
1-cyclohexyl-2-[(4-nitrophenyl)methyl]-3-prop-2-enylguanidine
CID 110958281
1-cyclohexyl-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 110957791
1-cyclopentyl-3-ethyl-2-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine;hydroiodide
CID 110989574
1-cyclohexyl-3-ethyl-2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine;hydroiodide
CID 110956861
1-cyclopropyl-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-(pyridin-2-ylmethyl)guanidine
CID 119116185
1-cyclobutyl-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 119140089
2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 110958383
1-cyclopropyl-3-ethyl-2-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine;hydroiodide
CID 110987663
2-[[(cyclohexylamino)-(2-pyridin-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110958733

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-prop-2-enyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 1-cyclohexyl-3-prop-2-enyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide (CID 75532671) is 1-cyclohexyl-3-prop-2-enyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-cyclohexyl-3-prop-2-enyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 1-cyclohexyl-3-prop-2-enyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide is C=CCN/C(=N\Cc1ccccn1)NC1CCCCC1.I.
What is the InChIKey of 1-cyclohexyl-3-prop-2-enyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide?
The InChIKey is ZMDNPUCLMJYDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4.HI/c1-2-11-18-16(20-14-8-4-3-5-9-14)19-13-15-10-6-7-12-17-15;/h2,6-7,10,12,14H,1,3-5,8-9,11,13H2,(H2,18,19,20);1H.
What are the key properties of 1-cyclohexyl-3-prop-2-enyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide?
1-cyclohexyl-3-prop-2-enyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide has a molecular weight of 400.31 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-prop-2-enyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 75532671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).