N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-3-ium-2-amine chloride

C13H18ClN3 — CID 21323

IUPACN-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-3-ium-2-amine chloride
SMILES[Cl-].c1ccc2c(c1)CCCC2NC1=[NH+]CCN1
InChIInChI=1S/C13H17N3.ClH/c1-2-6-11-10(4-1)5-3-7-12(11)16-13-14-8-9-15-13;/h1-2,4,6,12H,3,5,7-9H2,(H2,14,15,16);1H
InChIKeyFXPPZXZSSBRGQL-UHFFFAOYSA-N
MW251.76 g/mol
LogP-3.30
Rot. Bonds1

About N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-3-ium-2-amine chloride

N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-3-ium-2-amine chloride (PubChem CID 21323) has the molecular formula C13H18ClN3 and a molecular weight of 251.76 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-3-ium-2-amine chloride.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-3-ium-2-amine chloride
PubChem CID21323
Molecular FormulaC13H18ClN3
Molecular Weight251.76 g/mol
Exact Mass251.12
IUPAC NameN-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-3-ium-2-amine chloride
SMILES[Cl-].c1ccc2c(c1)CCCC2NC1=[NH+]CCN1
InChIInChI=1S/C13H17N3.ClH/c1-2-6-11-10(4-1)5-3-7-12(11)16-13-14-8-9-15-13;/h1-2,4,6,12H,3,5,7-9H2,(H2,14,15,16);1H
InChIKeyFXPPZXZSSBRGQL-UHFFFAOYSA-N
XLogP-3.30
TPSA38.03 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 5-3.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-3-ium-2-amine chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-3-ium-2-amine chloride?
The IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-3-ium-2-amine chloride (CID 21323) is N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-3-ium-2-amine chloride.
What is the SMILES notation for N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-3-ium-2-amine chloride?
The canonical SMILES for N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-3-ium-2-amine chloride is [Cl-].c1ccc2c(c1)CCCC2NC1=[NH+]CCN1.
What is the InChIKey of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-3-ium-2-amine chloride?
The InChIKey is FXPPZXZSSBRGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3.ClH/c1-2-6-11-10(4-1)5-3-7-12(11)16-13-14-8-9-15-13;/h1-2,4,6,12H,3,5,7-9H2,(H2,14,15,16);1H.
What are the key properties of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-3-ium-2-amine chloride?
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-3-ium-2-amine chloride has a molecular weight of 251.76 g/mol, XLogP of -3.30, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-3-ium-2-amine chloride is sourced from PubChem (CID 21323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).