1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine

C18H25N3 — CID 114530248

IUPAC1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1nccn1C)C1Cc2ccccc21
InChIInChI=1S/C18H25N3/c1-3-10-19-17(8-9-18-20-11-12-21(18)2)16-13-14-6-4-5-7-15(14)16/h4-7,11-12,16-17,19H,3,8-10,13H2,1-2H3
InChIKeyIYMNYPJTZACPRR-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.06
Rot. Bonds7

About 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine

1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine (PubChem CID 114530248) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
PubChem CID114530248
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1nccn1C)C1Cc2ccccc21
InChIInChI=1S/C18H25N3/c1-3-10-19-17(8-9-18-20-11-12-21(18)2)16-13-14-6-4-5-7-15(14)16/h4-7,11-12,16-17,19H,3,8-10,13H2,1-2H3
InChIKeyIYMNYPJTZACPRR-UHFFFAOYSA-N
XLogP3.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,3-dihydro-1H-inden-2-yl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 79752776
3-(1-methylimidazol-2-yl)-1-(oxan-4-yl)-N-propylpropan-1-amine
CID 114530301
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 79761477
N-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 114528633
N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 64984371
1-(1,4-dithian-2-yl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 114530528
N-methyl-3-(1-methylimidazol-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)propan-1-amine
CID 114530350
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethylpentan-1-amine
CID 64984207
1-(2,3-dihydro-1H-inden-2-yl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530343
[1-(2,3-dihydro-1-benzothiophen-3-yl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105340338
4-(1-methylimidazol-2-yl)-1-phenyl-N-propylbutan-1-amine
CID 79761932
N-[(1-methylimidazol-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-1-amine
CID 63974331

Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine (CID 114530248) is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine is CCCNC(CCc1nccn1C)C1Cc2ccccc21.
What is the InChIKey of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine?
The InChIKey is IYMNYPJTZACPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-3-10-19-17(8-9-18-20-11-12-21(18)2)16-13-14-6-4-5-7-15(14)16/h4-7,11-12,16-17,19H,3,8-10,13H2,1-2H3.
What are the key properties of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine?
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 114530248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).