2-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)cyclohexa-1,5-dien-1-yl]ethanamine

C13H21N3 — CID 70920193

IUPAC2-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)cyclohexa-1,5-dien-1-yl]ethanamine
SMILESCC1(C)CN=C(C2C=CC(CCN)=CC2)N1
InChIInChI=1S/C13H21N3/c1-13(2)9-15-12(16-13)11-5-3-10(4-6-11)7-8-14/h3-5,11H,6-9,14H2,1-2H3,(H,15,16)
InChIKeyTVSSCOZEQUJZKJ-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.62
Rot. Bonds3

About 2-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)cyclohexa-1,5-dien-1-yl]ethanamine

2-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)cyclohexa-1,5-dien-1-yl]ethanamine (PubChem CID 70920193) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)cyclohexa-1,5-dien-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)cyclohexa-1,5-dien-1-yl]ethanamine
PubChem CID70920193
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name2-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)cyclohexa-1,5-dien-1-yl]ethanamine
SMILESCC1(C)CN=C(C2C=CC(CCN)=CC2)N1
InChIInChI=1S/C13H21N3/c1-13(2)9-15-12(16-13)11-5-3-10(4-6-11)7-8-14/h3-5,11H,6-9,14H2,1-2H3,(H,15,16)
InChIKeyTVSSCOZEQUJZKJ-UHFFFAOYSA-N
XLogP1.62
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)cyclohexa-1,5-dien-1-yl]ethanamine?
The IUPAC name of 2-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)cyclohexa-1,5-dien-1-yl]ethanamine (CID 70920193) is 2-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)cyclohexa-1,5-dien-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)cyclohexa-1,5-dien-1-yl]ethanamine?
The canonical SMILES for 2-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)cyclohexa-1,5-dien-1-yl]ethanamine is CC1(C)CN=C(C2C=CC(CCN)=CC2)N1.
What is the InChIKey of 2-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)cyclohexa-1,5-dien-1-yl]ethanamine?
The InChIKey is TVSSCOZEQUJZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-13(2)9-15-12(16-13)11-5-3-10(4-6-11)7-8-14/h3-5,11H,6-9,14H2,1-2H3,(H,15,16).
What are the key properties of 2-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)cyclohexa-1,5-dien-1-yl]ethanamine?
2-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)cyclohexa-1,5-dien-1-yl]ethanamine has a molecular weight of 219.33 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)cyclohexa-1,5-dien-1-yl]ethanamine is sourced from PubChem (CID 70920193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).