N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-propylimidazol-2-yl)methyl]propan-1-amine

C18H25N3 — CID 64984371

IUPACN-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-propylimidazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1nccn1CCC)C1Cc2ccccc21
InChIInChI=1S/C18H25N3/c1-3-9-19-17(18-20-10-12-21(18)11-4-2)16-13-14-7-5-6-8-15(14)16/h5-8,10,12,16-17,19H,3-4,9,11,13H2,1-2H3
InChIKeyBLVIYBAUWCNNCU-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.67
Rot. Bonds7

About N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-propylimidazol-2-yl)methyl]propan-1-amine

N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-propylimidazol-2-yl)methyl]propan-1-amine (PubChem CID 64984371) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-propylimidazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-propylimidazol-2-yl)methyl]propan-1-amine
PubChem CID64984371
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-propylimidazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1nccn1CCC)C1Cc2ccccc21
InChIInChI=1S/C18H25N3/c1-3-9-19-17(18-20-10-12-21(18)11-4-2)16-13-14-7-5-6-8-15(14)16/h5-8,10,12,16-17,19H,3-4,9,11,13H2,1-2H3
InChIKeyBLVIYBAUWCNNCU-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-propylimidazol-2-yl)methyl]propan-1-amine with MolForge

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Related Compounds

N-[(1-methylimidazol-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-1-amine
CID 63974331
N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-ethylpyrazol-3-yl)methyl]propan-1-amine
CID 64984270
N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 64984224
N-[(4-methylthiomorpholin-3-yl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 106445379
N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 64984223
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 114530248
(1-propylimidazol-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol
CID 63975228
N-[oxolan-3-yl-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 65329600
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 105148959
N-[oxan-2-yl-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 115859031
N-propyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 63969166
N-[(1-propylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 61318763

Frequently Asked Questions

What is the IUPAC name of N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-propylimidazol-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-propylimidazol-2-yl)methyl]propan-1-amine (CID 64984371) is N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-propylimidazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-propylimidazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-propylimidazol-2-yl)methyl]propan-1-amine is CCCNC(c1nccn1CCC)C1Cc2ccccc21.
What is the InChIKey of N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-propylimidazol-2-yl)methyl]propan-1-amine?
The InChIKey is BLVIYBAUWCNNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-3-9-19-17(18-20-10-12-21(18)11-4-2)16-13-14-7-5-6-8-15(14)16/h5-8,10,12,16-17,19H,3-4,9,11,13H2,1-2H3.
What are the key properties of N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-propylimidazol-2-yl)methyl]propan-1-amine?
N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-propylimidazol-2-yl)methyl]propan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-propylimidazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 64984371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).