2-(cyclooctylmethyl)-1-(2-pyridin-2-ylethyl)guanidine

C17H28N4 — CID 111075397

IUPAC2-(cyclooctylmethyl)-1-(2-pyridin-2-ylethyl)guanidine
SMILESN/C(=N\CC1CCCCCCC1)NCCc1ccccn1
InChIInChI=1S/C17H28N4/c18-17(20-13-11-16-10-6-7-12-19-16)21-14-15-8-4-2-1-3-5-9-15/h6-7,10,12,15H,1-5,8-9,11,13-14H2,(H3,18,20,21)
InChIKeyOMPJQDZIXBIQOE-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.89
Rot. Bonds5

About 2-(cyclooctylmethyl)-1-(2-pyridin-2-ylethyl)guanidine

2-(cyclooctylmethyl)-1-(2-pyridin-2-ylethyl)guanidine (PubChem CID 111075397) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-(cyclooctylmethyl)-1-(2-pyridin-2-ylethyl)guanidine.

Molecular Properties

Compound Name2-(cyclooctylmethyl)-1-(2-pyridin-2-ylethyl)guanidine
PubChem CID111075397
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name2-(cyclooctylmethyl)-1-(2-pyridin-2-ylethyl)guanidine
SMILESN/C(=N\CC1CCCCCCC1)NCCc1ccccn1
InChIInChI=1S/C17H28N4/c18-17(20-13-11-16-10-6-7-12-19-16)21-14-15-8-4-2-1-3-5-9-15/h6-7,10,12,15H,1-5,8-9,11,13-14H2,(H3,18,20,21)
InChIKeyOMPJQDZIXBIQOE-UHFFFAOYSA-N
XLogP2.89
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.89
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'}

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Related Compounds

2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-cyclohexylacetamide
CID 111090861
2-(2-cycloheptyloxyethyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111575875
1-(2-pyridin-2-ylethyl)-2-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine;hydroiodide
CID 111559727
2-[2-[cyclohexyl(methyl)amino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111057297
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111024722
N-(2-pyridin-2-ylethyl)cyclopentanecarboxamide
CID 110872250
2-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111084544
N-[3-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide
CID 111752286
2-(cyclobutylmethyl)-1-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111975709
2-(2-hydroxypropyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111025296
2-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111600960
2-[(1-phenylsulfanylcyclopropyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111557464

Frequently Asked Questions

What is the IUPAC name of 2-(cyclooctylmethyl)-1-(2-pyridin-2-ylethyl)guanidine?
The IUPAC name of 2-(cyclooctylmethyl)-1-(2-pyridin-2-ylethyl)guanidine (CID 111075397) is 2-(cyclooctylmethyl)-1-(2-pyridin-2-ylethyl)guanidine.
What is the SMILES notation for 2-(cyclooctylmethyl)-1-(2-pyridin-2-ylethyl)guanidine?
The canonical SMILES for 2-(cyclooctylmethyl)-1-(2-pyridin-2-ylethyl)guanidine is N/C(=N\CC1CCCCCCC1)NCCc1ccccn1.
What is the InChIKey of 2-(cyclooctylmethyl)-1-(2-pyridin-2-ylethyl)guanidine?
The InChIKey is OMPJQDZIXBIQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c18-17(20-13-11-16-10-6-7-12-19-16)21-14-15-8-4-2-1-3-5-9-15/h6-7,10,12,15H,1-5,8-9,11,13-14H2,(H3,18,20,21).
What are the key properties of 2-(cyclooctylmethyl)-1-(2-pyridin-2-ylethyl)guanidine?
2-(cyclooctylmethyl)-1-(2-pyridin-2-ylethyl)guanidine has a molecular weight of 288.44 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclooctylmethyl)-1-(2-pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 111075397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).