4-amino-N'-cyclopentyl-3-hydroxybenzenecarboximidamide

C12H17N3O — CID 54246980

IUPAC4-amino-N'-cyclopentyl-3-hydroxybenzenecarboximidamide
SMILESN/C(=N\C1CCCC1)c1ccc(N)c(O)c1
InChIInChI=1S/C12H17N3O/c13-10-6-5-8(7-11(10)16)12(14)15-9-3-1-2-4-9/h5-7,9,16H,1-4,13H2,(H2,14,15)
InChIKeyQTYLSFRTNWZTPC-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.62
Rot. Bonds2

About 4-amino-N'-cyclopentyl-3-hydroxybenzenecarboximidamide

4-amino-N'-cyclopentyl-3-hydroxybenzenecarboximidamide (PubChem CID 54246980) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 4-amino-N'-cyclopentyl-3-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-amino-N'-cyclopentyl-3-hydroxybenzenecarboximidamide
PubChem CID54246980
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name4-amino-N'-cyclopentyl-3-hydroxybenzenecarboximidamide
SMILESN/C(=N\C1CCCC1)c1ccc(N)c(O)c1
InChIInChI=1S/C12H17N3O/c13-10-6-5-8(7-11(10)16)12(14)15-9-3-1-2-4-9/h5-7,9,16H,1-4,13H2,(H2,14,15)
InChIKeyQTYLSFRTNWZTPC-UHFFFAOYSA-N
XLogP1.62
TPSA84.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N'-cyclopentyl-3-hydroxybenzenecarboximidamide?
The IUPAC name of 4-amino-N'-cyclopentyl-3-hydroxybenzenecarboximidamide (CID 54246980) is 4-amino-N'-cyclopentyl-3-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-amino-N'-cyclopentyl-3-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-amino-N'-cyclopentyl-3-hydroxybenzenecarboximidamide is N/C(=N\C1CCCC1)c1ccc(N)c(O)c1.
What is the InChIKey of 4-amino-N'-cyclopentyl-3-hydroxybenzenecarboximidamide?
The InChIKey is QTYLSFRTNWZTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c13-10-6-5-8(7-11(10)16)12(14)15-9-3-1-2-4-9/h5-7,9,16H,1-4,13H2,(H2,14,15).
What are the key properties of 4-amino-N'-cyclopentyl-3-hydroxybenzenecarboximidamide?
4-amino-N'-cyclopentyl-3-hydroxybenzenecarboximidamide has a molecular weight of 219.29 g/mol, XLogP of 1.62, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N'-cyclopentyl-3-hydroxybenzenecarboximidamide is sourced from PubChem (CID 54246980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).