2-(cyclobutylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine

C17H25N3 — CID 111064694

IUPAC2-(cyclobutylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine
SMILESN/C(=N\CC1CCC1)NCC1CCCc2ccccc21
InChIInChI=1S/C17H25N3/c18-17(19-11-13-5-3-6-13)20-12-15-9-4-8-14-7-1-2-10-16(14)15/h1-2,7,10,13,15H,3-6,8-9,11-12H2,(H3,18,19,20)
InChIKeyORYXEGGINIGSAA-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.81
Rot. Bonds4

About 2-(cyclobutylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine

2-(cyclobutylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine (PubChem CID 111064694) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine
PubChem CID111064694
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2-(cyclobutylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine
SMILESN/C(=N\CC1CCC1)NCC1CCCc2ccccc21
InChIInChI=1S/C17H25N3/c18-17(19-11-13-5-3-6-13)20-12-15-9-4-8-14-7-1-2-10-16(14)15/h1-2,7,10,13,15H,3-6,8-9,11-12H2,(H3,18,19,20)
InChIKeyORYXEGGINIGSAA-UHFFFAOYSA-N
XLogP2.81
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-(cyclopropylmethyl)-1-ethyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine
CID 111868820
2-(cyclobutylmethyl)-1-(3,4-dihydro-2H-chromen-4-ylmethyl)guanidine;hydroiodide
CID 119146894
1-(cyclopropylmethyl)-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine
CID 111870531
2-(cyclobutylmethyl)-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)guanidine
CID 111062950
1-amino-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexane-1-carboxamide
CID 119291485
N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 119291466
4-amino-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butanamide;hydrochloride
CID 119291488
2-methyl-1-propan-2-yl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine;hydroiodide
CID 111125764
1-(4-chlorocyclohexyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)methanamine
CID 106123359
1-cyclopentyl-2-(2,3-dihydro-1H-inden-1-ylmethyl)guanidine;hydroiodide
CID 119147501
8-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)bicyclo[3.2.1]octane-3-carboxamide
CID 102560238
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine?
The IUPAC name of 2-(cyclobutylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine (CID 111064694) is 2-(cyclobutylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine.
What is the SMILES notation for 2-(cyclobutylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine?
The canonical SMILES for 2-(cyclobutylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine is N/C(=N\CC1CCC1)NCC1CCCc2ccccc21.
What is the InChIKey of 2-(cyclobutylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine?
The InChIKey is ORYXEGGINIGSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c18-17(19-11-13-5-3-6-13)20-12-15-9-4-8-14-7-1-2-10-16(14)15/h1-2,7,10,13,15H,3-6,8-9,11-12H2,(H3,18,19,20).
What are the key properties of 2-(cyclobutylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine?
2-(cyclobutylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine has a molecular weight of 271.41 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine is sourced from PubChem (CID 111064694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).