5-(3,4-dihydronaphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine

C14H17N3 — CID 10537295

IUPAC5-(3,4-dihydronaphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESNC1=NCC(CC2=Cc3ccccc3CC2)N1
InChIInChI=1S/C14H17N3/c15-14-16-9-13(17-14)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-4,7,13H,5-6,8-9H2,(H3,15,16,17)
InChIKeyHYFSAPNPEDBFFY-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.69
Rot. Bonds2

About 5-(3,4-dihydronaphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine

5-(3,4-dihydronaphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 10537295) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 5-(3,4-dihydronaphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-(3,4-dihydronaphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID10537295
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name5-(3,4-dihydronaphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESNC1=NCC(CC2=Cc3ccccc3CC2)N1
InChIInChI=1S/C14H17N3/c15-14-16-9-13(17-14)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-4,7,13H,5-6,8-9H2,(H3,15,16,17)
InChIKeyHYFSAPNPEDBFFY-UHFFFAOYSA-N
XLogP1.69
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydronaphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of 5-(3,4-dihydronaphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine (CID 10537295) is 5-(3,4-dihydronaphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for 5-(3,4-dihydronaphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for 5-(3,4-dihydronaphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine is NC1=NCC(CC2=Cc3ccccc3CC2)N1.
What is the InChIKey of 5-(3,4-dihydronaphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is HYFSAPNPEDBFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c15-14-16-9-13(17-14)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-4,7,13H,5-6,8-9H2,(H3,15,16,17).
What are the key properties of 5-(3,4-dihydronaphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine?
5-(3,4-dihydronaphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 227.31 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydronaphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 10537295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).