N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine

C13H17N3 — CID 5524

IUPACN-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine
SMILESc1cc2c(c(NC3=NCCN3)c1)CCCC2
InChIInChI=1S/C13H17N3/c1-2-6-11-10(4-1)5-3-7-12(11)16-13-14-8-9-15-13/h3,5,7H,1-2,4,6,8-9H2,(H2,14,15,16)
InChIKeyQQJLHRRUATVHED-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.94
Rot. Bonds1

About N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine

N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 5524) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID5524
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine
SMILESc1cc2c(c(NC3=NCCN3)c1)CCCC2
InChIInChI=1S/C13H17N3/c1-2-6-11-10(4-1)5-3-7-12(11)16-13-14-8-9-15-13/h3,5,7H,1-2,4,6,8-9H2,(H2,14,15,16)
InChIKeyQQJLHRRUATVHED-UHFFFAOYSA-N
XLogP1.94
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Epinastine
CID 3241
Epinastine Hydrochloride
CID 157313
N-(1-Naphthyl)ethylenediamine
CID 15107
Aptiganel Hydrochloride
CID 60839
2-Aminoperimidine
CID 112416
Aptiganel
CID 60840
Perimidine
CID 120189
Flutonidine
CID 65761
Tramazoline Hydrochloride
CID 443950
1-(5,6,7,8-Tetrahydronaphthalen-1-yl)piperazine
CID 98698
Indanazoline
CID 65979
St 91
CID 20864

Frequently Asked Questions

What is the IUPAC name of N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine (CID 5524) is N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine is c1cc2c(c(NC3=NCCN3)c1)CCCC2.
What is the InChIKey of N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is QQJLHRRUATVHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-2-6-11-10(4-1)5-3-7-12(11)16-13-14-8-9-15-13/h3,5,7H,1-2,4,6,8-9H2,(H2,14,15,16).
What are the key properties of N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine?
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 215.30 g/mol, XLogP of 1.94, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 5524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).