2-[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperazin-1-yl]-2-methylpropan-1-amine

C17H27N3 — CID 66419674

IUPAC2-[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperazin-1-yl]-2-methylpropan-1-amine
SMILESCC(C)(CN)N1CCN(CC2Cc3ccccc32)CC1
InChIInChI=1S/C17H27N3/c1-17(2,13-18)20-9-7-19(8-10-20)12-15-11-14-5-3-4-6-16(14)15/h3-6,15H,7-13,18H2,1-2H3
InChIKeyNVWYVQOOVKXLIO-UHFFFAOYSA-N
MW273.42 g/mol
LogP1.68
Rot. Bonds4

About 2-[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperazin-1-yl]-2-methylpropan-1-amine

2-[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperazin-1-yl]-2-methylpropan-1-amine (PubChem CID 66419674) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperazin-1-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperazin-1-yl]-2-methylpropan-1-amine
PubChem CID66419674
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name2-[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperazin-1-yl]-2-methylpropan-1-amine
SMILESCC(C)(CN)N1CCN(CC2Cc3ccccc32)CC1
InChIInChI=1S/C17H27N3/c1-17(2,13-18)20-9-7-19(8-10-20)12-15-11-14-5-3-4-6-16(14)15/h3-6,15H,7-13,18H2,1-2H3
InChIKeyNVWYVQOOVKXLIO-UHFFFAOYSA-N
XLogP1.68
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperazin-1-yl]-2-methylpropan-1-amine with MolForge

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Related Compounds

2-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-4-yl]ethanamine
CID 66417765
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-(1-chloroethyl)piperidine
CID 106838163
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N,4-dimethylpiperidin-4-amine
CID 113283076
1-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-4-yl]pyrazol-3-amine
CID 107109552
(3R)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-3-amine
CID 102985398
2-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-amine
CID 63343974
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929794
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidine-4-carboximidamide
CID 66419716
(3R)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-3-ol
CID 66394300
5-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66418763
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazine
CID 15839395
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-propan-2-ylpyrrolidin-3-amine
CID 66407796

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperazin-1-yl]-2-methylpropan-1-amine?
The IUPAC name of 2-[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperazin-1-yl]-2-methylpropan-1-amine (CID 66419674) is 2-[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperazin-1-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 2-[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperazin-1-yl]-2-methylpropan-1-amine?
The canonical SMILES for 2-[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperazin-1-yl]-2-methylpropan-1-amine is CC(C)(CN)N1CCN(CC2Cc3ccccc32)CC1.
What is the InChIKey of 2-[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperazin-1-yl]-2-methylpropan-1-amine?
The InChIKey is NVWYVQOOVKXLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-17(2,13-18)20-9-7-19(8-10-20)12-15-11-14-5-3-4-6-16(14)15/h3-6,15H,7-13,18H2,1-2H3.
What are the key properties of 2-[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperazin-1-yl]-2-methylpropan-1-amine?
2-[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperazin-1-yl]-2-methylpropan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperazin-1-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 66419674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).