2-[(5-oxopyrrolidin-3-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine

C16H22N4O — CID 122099005

IUPAC2-[(5-oxopyrrolidin-3-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
SMILESN/C(=N\CC1CNC(=O)C1)Nc1cccc2c1CCCC2
InChIInChI=1S/C16H22N4O/c17-16(19-10-11-8-15(21)18-9-11)20-14-7-3-5-12-4-1-2-6-13(12)14/h3,5,7,11H,1-2,4,6,8-10H2,(H,18,21)(H3,17,19,20)
InChIKeyJMNZOKVHQKKGBJ-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.43
Rot. Bonds3

About 2-[(5-oxopyrrolidin-3-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine

2-[(5-oxopyrrolidin-3-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine (PubChem CID 122099005) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[(5-oxopyrrolidin-3-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine.

Molecular Properties

Compound Name2-[(5-oxopyrrolidin-3-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
PubChem CID122099005
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-[(5-oxopyrrolidin-3-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
SMILESN/C(=N\CC1CNC(=O)C1)Nc1cccc2c1CCCC2
InChIInChI=1S/C16H22N4O/c17-16(19-10-11-8-15(21)18-9-11)20-14-7-3-5-12-4-1-2-6-13(12)14/h3,5,7,11H,1-2,4,6,8-10H2,(H,18,21)(H3,17,19,20)
InChIKeyJMNZOKVHQKKGBJ-UHFFFAOYSA-N
XLogP1.43
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.43
H-Bond Donors ≤ 53
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

1-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(thian-4-ylmethyl)guanidine
CID 119146810
2-(oxan-4-ylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 119142322
2-(oxolan-3-ylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 119142304
2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111812467
2-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111720591
2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111721224
tert-butyl 4-[[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]methyl]piperidine-1-carboxylate;hydroiodide
CID 111721174
2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]-N-(2,2-difluoroethyl)acetamide
CID 120663334
2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]-N-cyclohexyl-N-methylacetamide
CID 119142469
2-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111720985
3-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]-N,N-dimethylpropanamide
CID 111721263
1-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(1,3-thiazol-2-ylmethyl)guanidine
CID 119142337

Frequently Asked Questions

What is the IUPAC name of 2-[(5-oxopyrrolidin-3-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine?
The IUPAC name of 2-[(5-oxopyrrolidin-3-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine (CID 122099005) is 2-[(5-oxopyrrolidin-3-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine.
What is the SMILES notation for 2-[(5-oxopyrrolidin-3-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine?
The canonical SMILES for 2-[(5-oxopyrrolidin-3-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine is N/C(=N\CC1CNC(=O)C1)Nc1cccc2c1CCCC2.
What is the InChIKey of 2-[(5-oxopyrrolidin-3-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine?
The InChIKey is JMNZOKVHQKKGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c17-16(19-10-11-8-15(21)18-9-11)20-14-7-3-5-12-4-1-2-6-13(12)14/h3,5,7,11H,1-2,4,6,8-10H2,(H,18,21)(H3,17,19,20).
What are the key properties of 2-[(5-oxopyrrolidin-3-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine?
2-[(5-oxopyrrolidin-3-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine has a molecular weight of 286.38 g/mol, XLogP of 1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-oxopyrrolidin-3-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine is sourced from PubChem (CID 122099005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).